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Cytochrome P450 17A1 Inhibitors (IC50, Ki)

Structure
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Compound Name
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Standard Type
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Standard Values (in nM)
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KetoconazoleIC502780.0 [1]
KetoconazoleKi38.0 [1]
AbirateroneIC5072.0 [1]
NizoralKi38.0 [1]
GaleteroneIC5028.1 [1], 282.0 [2], 300.0 [3], 752.0 [4]
(3S,10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC508.0 [1], 50.0 [2]
(3S,10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olKi1.2 [1]
4-(4-Methylpyridin-3-yl)-1-(2,2,2-trifluoroethyl)benzimidazoleIC5012.0 [1], 19.0 [2], 20.0 [3]
4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-oneIC5042.0 [1]
1-Imidazol-1-ylmethyl-9-oxo-9H-xanthene-4-carbonitrileIC50220.0 [1]
1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-oneIC50130.0 [1]
3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-dieneIC5050.0 [1], 125.0 [2]
3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-dieneKi1.2 [1]
3-(1-Chloro-7-methoxy-2-naphthyl)pyridineIC5027.0 [1]
(10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC502.1 [1], 2.8 [2], 3.0 [3]
3-[(10R,13S)-10,13-Dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridineIC505.6 [1], 12.5 [2], 13.0 [3]
(3S,10R,13S,17S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olIC5023.0 [1], 47.0 [2]
(3S,10R,13S,17S)-10,13-Dimethyl-17-pyridin-4-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olIC5053.0 [1], 160.0 [2]
4-(4-Methylpyridin-3-yl)-1-pyrazin-2-ylbenzimidazoleIC5037.0 [1]
4-(4-Methylpyridin-3-yl)-1-pyridin-2-ylbenzimidazoleIC505.8 [1], 6.0 [2]
(10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC507.0 [1], 150.0 [2]
(10R,13S)-17-Imidazol-1-yl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneKi1.9 [1]
(3S,10R,13S)-10,13-Dimethyl-17-(triazol-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC5013.0 [1], 377.3 [2]
(3S,10R,13S)-10,13-Dimethyl-17-(triazol-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olKi1.4 [1]
(10R,13S)-10,13-Dimethyl-17-(1,2,4-triazol-1-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC5055.0 [1], 1200.0 [2]
(10R,13S)-10,13-Dimethyl-17-(1,2,4-triazol-1-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneKi41.0 [1]
(3S,10R,13S)-10,13-Dimethyl-17-(1,2,4-triazol-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC5090.0 [1], 800.0 [2]
(3S,10R,13S)-10,13-Dimethyl-17-(1,2,4-triazol-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olKi23.0 [1]
(10R,13S)-10,13-Dimethyl-17-(triazol-1-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC5019.0 [1], 386.9 [2]
(10R,13S)-10,13-Dimethyl-17-(triazol-1-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneKi8.0 [1]
1-(6,7-Dimethoxynaphthalen-2-yl)-2-methyl-1-(2H-triazol-4-yl)propan-1-olIC50180.0 [1], 2300.0 [2]
2-Methyl-1-[6-(1,3-oxazol-5-yl)naphthalen-2-yl]-1-(2H-triazol-4-yl)propan-1-olIC50510.0 [1], 940.0 [2], 13000.0 [3]
VT-464 racemateIC50170.0 [1], 220.0 [2], 690.0 [3]
(3As,3bR,10aR,10bS,12aS)-5,10a,12a-trimethyl-1-pyridin-4-yl-3a,3b,4,5,8,9,10,10b,11,12-decahydro-3H-indeno[4,5-i][3]benzazepin-7-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8S,9S,10R,13S,14S)-10,13-Dimethyl-6-methylidene-17-pyridin-3-yl-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8R,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-3-ylspiro[2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-6,1'-cyclopropane]-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8R,9S,10R,13S)-17-(5-Fluoropyridin-3-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8R,9S,10R,13S,14S)-17-(5-Fluoropyridin-3-yl)-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC5011.0 [1], 15.0 [2], 100.0 [3]
(8S,9S,10R,13S,14S)-17-(5-Fluoropyridin-3-yl)-10,13-dimethyl-6-methylidene-8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthren-3-oneIC5011.0 [1], 15.0 [2], 100.0 [3]
(8S,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-3-ylspiro[8,9,11,12,14,15-hexahydro-7H-cyclopenta[a]phenanthrene-6,1'-cyclopropane]-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8R,9S,10R,13S,14S)-10,13-Dimethyl-6-methylidene-17-pyridin-3-yl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8R,9S,10R,13S)-10,13-Dimethyl-17-pyridin-3-yl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(8R,9S,10R,13S,14S)-6,10,13-Trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
(3As,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-1-pyridin-3-ylspiro[3,3a,3b,4,8,9,10,10b,11,12-decahydroindeno[4,5-i][3]benzazepine-5,1'-cyclopropane]-7-oneIC5010.0 [1], 11.0 [2], 15.0 [3]
FluconazoleIC50200000.0 [1]
XolegelIC5048.0 [1], 1800.0 [2]
PosaconazoleIC5042.0 [1], 1800.0 [2]
Abiraterone acetateIC5017.0 [1], 18.0 [2]
BifonazoleIC50790.0 [1]
BifonazoleKi56.5 [1]
OrteronelIC5019.0 [1], 4730.0 [2]
AzalanstatKi447.0 [1], 1625.0 [2]
16-Dehydropregnenolone acetateIC501710.0 [1], 1890.0 [2]
16alpha,17-EpoxyprogesteroneIC50480.0 [1], 800.0 [2]
(3S,10R,13S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC50300.0 [1]
N-[(Pyridin-4-yl)methyl]adamantane-1-carboxamideIC501600.0 [1], 7700.0 [2]
Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amideIC5018000.0 [1], 70000.0 [2]
(20R)-20-Hydroxypregn-4-en-3-oneIC501430.0 [1], 2840.0 [2]
3-(6-Methoxynaphthalen-2-yl)pyridineIC50667.0 [1]
6-Pyridin-3-yl-2-naphthonitrileIC50686.0 [1]
Androsta-4,16-dien-3-one, 17-(3-pyridinyl)-IC506.13 [1], 10.0 [2]
3-[4-(Pyridin-4-ylmethyl)phenyl]anilineIC50226.0 [1]
4-[4-(Pyridin-4-ylmethyl)phenyl]benzene-1,2-diolIC5052.0 [1]
2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-adamantan-2-yl esterIC5013.0 [1], 75.0 [2]
2-(4-Pyridyl)propan-2-yl 1-adamantanecarboxylateIC502.7 [1], 8.8 [2]
(3S,10R,13S)-17-(Benzotriazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC501250.0 [1]
(10R,13S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC50915.0 [1]
3-CapabhIC5034000.0 [1], 330000.0 [2]
1-[1-[4-(4-Fluorophenyl)phenyl]propyl]imidazoleIC50345.0 [1]
4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylmethyl-[1,3]dioxolan-4-ylmethylsulfanyl}-phenylamineKi54.0 [1], 109.0 [2]
4-[4-(1-Imidazol-1-ylpropyl)phenyl]phenolIC50231.0 [1], 375.0 [2]
(3S,10R,13S)-10,13-Dimethyl-17-pyrazin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC503810.0 [1]
(3S,10R,13S)-10,13-Dimethyl-17-pyrimidin-5-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC50500.0 [1]
4-[4-(Pyridin-4-ylmethyl)phenyl]benzene-1,2-diamineIC50337.0 [1]
3-[4-(Pyridin-4-ylmethyl)phenyl]phenolIC5097.0 [1]
2-Fluoro-4-[4-(pyridin-4-ylmethyl)phenyl]phenolIC50186.0 [1]
(10R,13S)-10,13-Dimethyl-17-(1,2-oxazol-5-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneIC5039.0 [1], 1000.0 [2]
6-(1-Hydroxy-1-(1H-imidazol-4-yl)-2-methyl-propyl)-N-methyl-2-naphthamideIC5016.0 [1]
(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC5076.0 [1], 270.0 [2]
5,16-Pregnadien-3beta-ol-20-oneIC50490.0 [1], 510.0 [2]
2-Methyl-2-(3-pyridyl)propionic acid 1-adamantyl esterIC5013.0 [1], 90.0 [2]
(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-4-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olIC501000.0 [1], 4000.0 [2]
Adamantane-1-carboxylic acid 1-methyl-1-(3-pyridyl)ethyl esterIC5092.0 [1], 390.0 [2]
N-[(1S)-1-Pyridin-4-ylethyl]adamantane-1-carboxamideIC50210.0 [1], 820.0 [2]
(3S,8R,9S,10R,13R,17S)-17-[(2S)-Aziridin-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olIC50290.0 [1]
(3S,8R,9S,10R,13R,17S)-17-[(2S)-Aziridin-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olKi3.0 [1]
Adamantane-1-carboxylic acid (R)-1-(3-pyridyl)ethyl esterIC50150.0 [1], 580.0 [2]
2-Pyridin-3-yl-propionic acid adamantan-1-yl esterIC5035.0 [1], 220.0 [2]
Pyridin-3-yl-acetic acid 2-methyl-adamantan-2-yl esterIC50320.0 [1], 1900.0 [2]
Adamantane-1-carboxylic acid (S)-1-(3-pyridyl)ethyl esterIC50230.0 [1], 840.0 [2]
Adamantane-1-carboxylic acid 3-pyridylmethyl esterIC50460.0 [1], 1500.0 [2]
Adamantane-1-carboxylic acid (R)-1-(4-pyridyl)ethyl esterIC5074.0 [1], 340.0 [2]
3-(1,5-Dichloro-6-methoxy-2-naphthyl)pyridineIC50233.0 [1]
(3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-6-carboxamideIC5022.8 [1], 120.0 [2]
(3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-6-carbonitrileIC5015.5 [1], 174.0 [2]
(1S,2R,5S,7S,11S,12S,16S)-5-Hydroxy-2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,7.012,16]octadec-14-en-9-oneIC50230.0 [1], 5410.0 [2]
(3S,5S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-17-pyridin-3-yl-1,2,3,4,5,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-6-oneIC5012.4 [1], 208.0 [2]
1-(6,7-Dimethoxy-2-naphthyl)-1-(1H-imidazol-4-yl)-2-methyl-1-propanolIC5050.0 [1], 220.0 [2]
Chembl4127656IC501.0 [1]
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References

This online tool may be cited as follows

MLA

"Quest Database™ Cytochrome P450 17A1 Inhibitors (IC50, Ki)." AAT Bioquest, Inc., 22 Feb. 2025, https://www.aatbio.com/data-sets/cytochrome-p450-17a1-inhibitors-ic50-ki.

APA

AAT Bioquest, Inc. (2025, February 22). Quest Database™ Cytochrome P450 17A1 Inhibitors (IC50, Ki). AAT Bioquest. https://www.aatbio.com/data-sets/cytochrome-p450-17a1-inhibitors-ic50-ki.
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