10967/269 - QDB Compounds

QsarDB Repository

Akinola, L. K.; Uzairu, A.; Shallangwa, G. A.; Abechi, S. E. Development of binary classification models for grouping hydroxylated polychlorinated biphenyls into active and inactive thyroid hormone receptor agonists. SAR and QSAR in Environmental Research 2023, 34, 267–284.

68 compounds | Property TR_activity: Thyroid receptor agonism

IDNameTR_activityDetails
A12',4,5',6-tetrachlorobiphenyl-2-olactiveView
A23',5,5',6-tetrachlorobiphenyl-2-olactiveView
A32,3',5,5',6-pentachlorobiphenyl-3-olactiveView
A42,3',4,5',6-pentachlorobiphenyl-2-olactiveView
A52,2',3',5-tetrachlorobiphenyl-4-olactiveView
A63',4,6-trichlorobiphenyl-3-olactiveView
A72',5,5'-trichlorobiphenyl-2-olactiveView
A82,3',5-trichlorobiphenyl-4-olactiveView
A92,3',4,5'-tetrachlorobiphenyl-3-olactiveView
A102',3,5'-trichlorobiphenyl-4-olactiveView
A112,3',4',5-tetrachlorobiphenyl-4-olactiveView
A122,4',5-trichlorobiphenyl-4-olactiveView
A132',3,3',5,6-pentachlorobiphenyl-2-olactiveView
A142,3',4-trichlorobiphenyl-3-olactiveView
A152,2',5'-trichlorobiphenyl-4-olactiveView
A162',5'-dichlorobiphenyl-2-olactiveView
A173',4,5',6-tetrachlorobiphenyl-2-olactiveView
A182',3,5,5'-tetrachlorobiphenyl-2-olactiveView
A192',5'-dichlorobiphenyl-3-olactiveView
A202',3,3',5-tetrachlorobiphenyl-2-olactiveView
A212',3,3'-trichlorobiphenyl-4-olactiveView
A222',4,5'-trichlorobiphenyl-3-olactiveView
A233,3',5,5',6-pentachlorobiphenyl-2-olactiveView
A242',3,4',5,6'-pentachlorobiphenyl-2-olactiveView
A253',4'-dichlorobiphenyl-2-olinactiveView
A273,3',4'-trichlorobiphenyl-2-olinactiveView
A283,3',5-trichlorobiphenyl-2-olinactiveView
A293,4',5-trichlorobiphenyl-2-olinactiveView
A303',4,5'-trichlorobiphenyl-2-olinactiveView
A312',3,3',4-tetrachlorobiphenyl-2-olinactiveView
A322',3',4',5'-tetrachlorobiphenyl-2-olinactiveView
A332',3',5',6'-tetrachlorobiphenyl-2-ol iinactiveView
A342',3,4',5-tetrachlorobiphenyl-2-olinactiveView
A353,3',4',5-tetrachlorobiphenyl-2-olinactiveView
A363,3',5,5'-tetrachlorobiphenyl-2-olinactiveView
A372,2',3',6-tetrachlorobiphenyl-3-olinactiveView
A382,2',5,6-tetrachlorobiphenyl-3-olinactiveView
A392',3',5',6'-tetrachlorobiphenyl-3-olinactiveView
A402,3',4,4'-tetrachlorobiphenyl-3-olinactiveView
A412,3',4,4',6-pentachlorobiphenyl-3-olinactiveView
A423,5-dichlorobiphenyl-4-ol iinactiveView
A433,3',5'-trichlorobiphenyl-4-olinactiveView
A442,3',5,5'-tetrachlorobiphenyl-4-olinactiveView
A452',3,5,5'-tetrachlorobiphenyl-4-olinactiveView
A463,3',4',5-tetrachlorobiphenyl-4-olinactiveView
A472,2',3',5',6'-pentachlorobiphenyl-4-olinactiveView
A482',3,3',4',5'-pentachlorobiphenyl-4-olinactiveView
A492',3,3',5',6'-pentachlorobiphenyl-4-olinactiveView
A502',3,4',5,6'-pentachlorobiphenyl-4-olinactiveView
A512',3,3',4',5,5'-hexachlorobiphenyl-4-olinactiveView
A522',3,3',5,5',6'-hexachlorobiphenyl-4-olinactiveView
A533',4,4',6-tetrachlorobiphenyl-3-olinactiveView
A542',4,4',5-tetrachlorobiphenyl-3-olinactiveView
A553',4,5',6-tetrachlorobiphenyl-3-olinactiveView
A562,3',4',5,6-pentachlorobiphenyl-3-olinactiveView
A573',4,6-trichlorobiphenyl-2-olinactiveView
A583,3',6-trichlorobiphenyl-2-olinactiveView
A593,4',6-trichlorobiphenyl-2-olinactiveView
A603',4',5-trichlorobiphenyl-2-olinactiveView
A613',5,5'-trichlorobiphenyl-2-olinactiveView
A622',4',5,6'-tetrachlorobiphenyl-2-olinactiveView
A633,3',4',6-tetrachlorobiphenyl-2-olinactiveView
A642',3',4',5,5'-pentachlorobiphenyl-2-olinactiveView
A653,3',4',5,6-pentachlorobiphenyl-2-olinactiveView
A662',3',5,5',6'-pentachlorobiphenyl-2-olinactiveView
A673,3',5'-trichlorobiphenyl-2-olinactiveView
A683,3',4'-trichlorobiphenyl-4-olinactiveView
A262',3,4'-trichlorobiphenyl-2-olinactiveView

Bibliography

  1. Arulmozhiraja, S. Structural Requirements for the Interaction of 91 Hydroxylated Polychlorinated Biphenyls with Estrogen and Thyroid Hormone Receptors. Toxicological Sciences 2005, 84, 49–62. https://doi.org/10.1093/toxsci/kfi063