| Target Validation Information | |||||
|---|---|---|---|---|---|
| TTD ID | T89041 | ||||
| Target Name | Steroid 17-alpha-monooxygenase (S17AH) | ||||
| Type of Target |
Successful |
||||
| Drug Potency against Target | 1-((9H-Fluoren-2-yl)ethyl)-1H-imidazole | Drug Info | IC50 = 112 nM | [7] | |
| 1-((9H-Fluoren-2-yl)methyl)-1H-imidazole | Drug Info | IC50 = 388 nM | [7] | ||
| 1-(1-(4'-Ethylbiphenyl-4-yl)propyl)-1H-imidazole | Drug Info | IC50 = 2000 nM | [7] | ||
| 1-(1-(4-thiophen-3-yl-phenyl)propyl)-1Himidazole | Drug Info | IC50 = 562 nM | [6] | ||
| 1-(1-(4-thiophen-3-ylphenyl)ethyl)-1H-imidazole | Drug Info | IC50 = 676 nM | [6] | ||
| 1-(1-(Biphenyl-4-yl)allyl)-1H-imidazole | Drug Info | IC50 = 1400 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-2-methyl-propyl)-1H-imidazole | Drug Info | IC50 = 310 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole | Drug Info | IC50 = 780 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-3-methyl-butyl)-1H-imidazole | Drug Info | IC50 = 2100 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-butyl)-1H-imidazole | Drug Info | IC50 = 580 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-ethyl)-1H-imidazole | Drug Info | IC50 = 910 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-pentyl)-1H-imidazole | Drug Info | IC50 = 300 nM | [7] | ||
| 1-(1-Biphenyl-4-yl-propyl)-1H-imidazole | Drug Info | IC50 = 450 nM | [7] | ||
| 1-(3,4-dichlorobenzyl)-1H-imidazole | Drug Info | IC50 = 12220 nM | [4] | ||
| 1-(3,4-difluorobenzyl)-1H-imidazole | Drug Info | IC50 = 9600 nM | [4] | ||
| 1-(3,5-bis(trifluoromethyl)benzyl)-1H-imidazole | Drug Info | IC50 = 19460 nM | [4] | ||
| 1-(3,5-dibromobenzyl)-1H-imidazole | Drug Info | IC50 = 3160 nM | [4] | ||
| 1-(3,5-dichlorobenzyl)-1H-imidazole | Drug Info | IC50 = 3340 nM | [4] | ||
| 1-(3,5-difluorobenzyl)-1H-imidazole | Drug Info | IC50 = 11800 nM | [4] | ||
| 1-(3-(4-fluorophenyl)propyl)-1H-imidazole | Drug Info | IC50 = 1960 nM | [5] | ||
| 1-(3-phenylpropyl)-1H-imidazole | Drug Info | IC50 = 6140 nM | [5] | ||
| 1-(4-Bromobenzyl)-1H-imidazole | Drug Info | IC50 = 2850 nM | [5] | ||
| 1-(4-chlorobenzyl)-1H-imidazole | Drug Info | IC50 = 4940 nM | [5] | ||
| 1-(4-fluorobenzyl)-1H-imidazole | Drug Info | IC50 = 11260 nM | [5] | ||
| 1-(4-iodobenzyl)-1H-imidazole | Drug Info | IC50 = 730 nM | [9] | ||
| 1-(4-methyl-benzyl)-1H-imidazole | Drug Info | IC50 = 8810 nM | [4] | ||
| 1-(4-nitrobenzyl)-1H-imidazole | Drug Info | IC50 = 7170 nM | [4] | ||
| 1-(Bis-biphenyl-4-yl-methyl)-1H-imidazole | Drug Info | IC50 = 2300 nM | [7] | ||
| 1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one | Drug Info | IC50 = 130 nM | [12] | ||
| 1-Imidazol-1-ylmethylxanthen-9-one | Drug Info | IC50 = 880 nM | |||
| 2,3,4,5-Tetrafluoro-6-pentafluorophenylazo-phenol | Drug Info | IC50 = 16000 nM | [11] | ||
| 2-(1-Imidazol-1-yl-ethyl)-9H-carbazole | Drug Info | IC50 = 282 nM | [7] | ||
| 3-(1-Chloro-7-methoxy-naphthalen-2-yl)-pyridine | Drug Info | IC50 = 27 nM | [2] | ||
| 3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine | Drug Info | IC50 = 1085 nM | [3] | ||
| 3-fluoro-4'-(1-(pyridin-4-yl)propyl)biphenyl-4-ol | Drug Info | IC50 = 343 nM | [8] | ||
| 3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol | Drug Info | IC50 = 186 nM | [10] | ||
| 3-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine | Drug Info | IC50 = 4040 nM | [10] | ||
| 4'-(1-(pyridin-4-yl)propyl)biphenyl-3-ol | Drug Info | IC50 = 189 nM | [8] | ||
| 4'-(2-methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol | Drug Info | IC50 = 783 nM | [8] | ||
| 4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine | Drug Info | IC50 = 337 nM | [10] | ||
| 4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol | Drug Info | IC50 = 52 nM | [10] | ||
| 4'-(Pyridin-4-ylmethyl)biphenyl-3-amine | Drug Info | IC50 = 226 nM | [10] | ||
| 4'-(Pyridin-4-ylmethyl)biphenyl-4-amine | Drug Info | IC50 = 408 nM | [10] | ||
| 4'-(Pyridin-4-ylmethyl)biphenyl-4-carboxamide | Drug Info | IC50 = 1790 nM | [10] | ||
| 4-((1H-imidazol-1-yl)methyl)benzonitrile | Drug Info | IC50 = 7670 nM | [4] | ||
| 4-((1H-imidazol-1-yl)methyl)phenol | Drug Info | IC50 = 2496 nM | [9] | ||
| 4-((3',4'-Difluorobiphenyl-4-yl)methyl)pyridine | Drug Info | IC50 = 598 nM | [10] | ||
| 4-(4'-Fluoro-biphenyl-4-ylmethyl)pyridine | Drug Info | IC50 = 386 nM | [10] | ||
| 4-(4-(thiophen-2-yl)benzyl)pyridine | Drug Info | IC50 = 647 nM | [10] | ||
| 4-(4-(thiophen-3-yl)benzyl)pyridine | Drug Info | IC50 = 577 nM | [10] | ||
| 4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one | Drug Info | IC50 = 42 nM | [12] | ||
| 4-[(3'-Hydroxybiphenyl-4-yl)methyl]pyridine | Drug Info | IC50 = 97 nM | [10] | ||
| 4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine | Drug Info | IC50 = 248 nM | [10] | ||
| 4-[1-(4'-Methoxybiphenyl-4-yl)propyl]pyridine | Drug Info | IC50 = 1610 nM | [10] | ||
| 4-[4-(6-methoxynaphthalen-2-yl)benzyl]pyridine | Drug Info | IC50 = 2000 nM | [10] | ||
| 5-[4-(Pyridin-4-ylmethyl)phenyl]-1H-indole | Drug Info | IC50 = 760 nM | [10] | ||
| 6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol | Drug Info | IC50 = 438 nM | [10] | ||
| 7-(1-(1H-imidazol-1-yl)ethyl)-9H-fluoren-2-ol | Drug Info | IC50 = 99 nM | [7] | ||
| ABIRATERONE | Drug Info | IC50 = 220 nM | [6] | ||
| ISOCONAZOLE | Drug Info | Ki = 610 nM | [1] | ||
| N-(4'-Isonicotinoylbiphenyl-3-yl)acetamide | Drug Info | IC50 = 876 nM | [10] | ||
| References | |||||
| REF 1 | Three dimensional pharmacophore modeling of human CYP17 inhibitors. Potential agents for prostate cancer therapy. J Med Chem. 2003 Jun 5;46(12):2345-51. | ||||
| REF 2 | Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart fa... J Med Chem. 2005 Oct 20;48(21):6632-42. | ||||
| REF 3 | Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B... J Med Chem. 2006 Apr 6;49(7):2222-31. | ||||
| REF 4 | Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hy... Bioorg Med Chem Lett. 2006 Aug 1;16(15):4011-5. | ||||
| REF 5 | Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitor... Bioorg Med Chem Lett. 2006 Sep 15;16(18):4752-6. | ||||
| REF 6 | Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17alpha-hydroxyla... Bioorg Med Chem. 2008 Feb 15;16(4):1992-2010. | ||||
| REF 7 | Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxyl... Bioorg Med Chem. 2008 Aug 15;16(16):7715-27. | ||||
| REF 8 | Isopropylidene substitution increases activity and selectivity of biphenylmethylene 4-pyridine type CYP17 inhibitors. J Med Chem. 2010 Jul 8;53(13):5049-53. | ||||
| REF 9 | Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as pote... Bioorg Med Chem Lett. 2010 Sep 1;20(17):5345-8. | ||||
| REF 10 | Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prosta... J Med Chem. 2010 Aug 12;53(15):5749-58. | ||||
| REF 11 | Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. J Med Chem. 1990 Sep;33(9):2452-5. | ||||
| REF 12 | A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80. | ||||
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