Target Poor or Non Binder(s) Information

Target General Information

Target ID

T89041

Target Info

Target Name

Steroid 17-alpha-monooxygenase (S17AH)

Synonyms

Steroid 17-alpha-hydroxylase/17,20 lyase; P450c17; P450-C17; P450 17; CYPXVII; CYP17A1; CYP 17; 17 alpha-Hydroxylase/C17-20-lyase

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Target Type

Successful Target

Gene Name

CYP17A1

Biochemical Class

Paired donor oxygen oxidoreductase

UniProt ID

P05093

Poor Binders of This Target (in total, 11 binders)

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Compound Name

Aminoglutethimide

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Approved

Compound Info

Synonyms

Aminoglutethimidum; Aminoglutetimida; Cytadren; Elipten; Orimeten; Ciba Vision Brand of Aminoglutethimide; Novartis Brand of Aminoglutethimide; A 9657; Ba 16038; AG-1; Aminoglutethimide (AG); Aminoglutethimide [INN:BAN]; Aminoglutethimidum [INN-Latin]; Aminoglutetimida [INN-Spanish]; Ba-16038; C 16038-BA; Cytadren (TN); Dl-Aminoglutethimide; P-Aminoglutethimide; Aminoglutethimide (USP/INN); Glutethimide, para-amino; Alpha-(p-Aminophenyl)-alpha-ethylglutarimide; (+-)-3-(p-Aminophenyl)-3-ethyl-2,6-piperidinedione; (+/-)-p-AMINOGLUTETHIMIDE; (inverted question mark)-p-Aminoglutethimide; 2-(p-Aminophenyl)-2-ethylglutarimide; 3-(4-Aminophenyl)-3-ethyl-2,6-piperidindion; 3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione; 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione; 3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione; 3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine

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Activity

IC50 = 60000 nM

[1]

Compound Name

Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide

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Investigative

Compound Info

Synonyms

CHEMBL109347; N-(pyridin-3-ylmethyl)adamantane-1-carboxamide; Oprea1_093619; Oprea1_835211; MLS001163792; SCHEMBL13333015; HMS2853A07; ZINC3879102; BDBM50052665; STL196570; AKOS000596049; CCG-342250; MCULE-4669739094; SMR000539236; adamantanyl-N-(3-pyridylmethyl)carboxamide; N-(3-Pyridylmethyl)adamantane-1-carboxamide; ST50810159; N-(3-Pyridinylmethyl)-1-adamantanecarboxamide #; N-[(pyridin-3-yl)methyl]adamantane-1-carboxamide; SR-01000509834; SR-01000509834-1; Z30172961; F0286-0009; (3r,5r,7r)-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide; N-(pyridin-3-ylmethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

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Activity

IC50 = 70000 nM

[2]

Compound Name

3-({[17-(5-Fluoropyridin-3-yl)estra-1,3,5(10),16-tetraen-3-yl]carbonyl}amino)-2,2-dimethylpropanoic acid

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Investigative

Compound Info

Synonyms

CHEMBL4109884; SCHEMBL15993348; BDBM254818; US9487554, 5

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Activity

IC50 = 85500 nM

[3]

Compound Name

Holafebrine

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Investigative

Compound Info

Synonyms

CHEMBL2112761; Pregn-5-en-3.beta.-ol, 20.alpha.-amino-; NSC267719; 20-Aminopregn-5-en-3-ol #; DTXSID80313221; BDBM50407977; NSC-267719; Pregn-5-en-3-ol, (3.beta.,20S)-; Pregn-5-en-3-ol, 20-amino-, (3.beta.,20S)-

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Activity

IC50 = 89800 nM

[4]

Compound Name

[(3S,8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylimidazole-1-carboxylate

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Investigative

Compound Info

Synonyms

CHEMBL2392004; BDBM50435993

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Activity

IC50 = 93700 nM

[5]

Compound Name

CID 71621803

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Investigative

Compound Info

Synonyms

CHEMBL4077246; SCHEMBL15018509; BDBM50268690

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Activity

IC50 ~ 100000 nM

[6]

Compound Name

[(3S,8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] imidazole-1-carboxylate

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Investigative

Compound Info

Synonyms

CHEMBL2392003; BDBM50435994; 1H-Imidazole-1-carboxylic acid 17-(1H-benzoimidazole-1-yl)androsta-5,16-diene-3beta-yl ester

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Activity

IC50 = 122000 nM

[5]

Compound Name

(3S,8R,9S,10R,13S,14S)-17-Indol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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Investigative

Compound Info

Synonyms

CHEMBL2392008; SCHEMBL17322458; BDBM50435996

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Activity

IC50 = 130000 nM

[5]

Compound Name

[(3S,8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] pyridine-4-carboxylate

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Investigative

Compound Info

Synonyms

CHEMBL2391999; BDBM50435995

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Activity

IC50 = 132000 nM

[5]

Compound Name

1-(4-Aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione

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Investigative

Compound Info

Synonyms

CHEMBL27467; SCHEMBL2777811; BDBM50011756; 1-(4-Amino-phenyl)-3-cyclohexyl-3-aza-bicyclo[3.1.1]heptane-2,4-dione; 1-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]-heptane-2,4-dione; 5-(4-aminophenyl)-3-cyclohexyl-3-azabicyclo[3.1.1]heptane-2,4-dione

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Activity

IC50 = 140000 nM

[1]

Compound Name

beta-Alanine, N-((17-(5-fluoro-3-pyridinyl)estra-1,3,5(10),16-tetraen-3-yl)carbonyl)-N-methyl-

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Investigative

Compound Info

Synonyms

IZ2GRM2YZB; UNII-IZ2GRM2YZB; CHEMBL4108488; SCHEMBL15992867; BDBM254815; BAY-1128688; US9487554, 2; N-{[17-(5-fluoropyridin-3-yl)estra-1,3,5(10),16-tetraen-3-yl]carbonyl}-N-methyl-beta-alanine

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Activity

IC50 = 200000 nM

[3]

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Non Binders of This Target (in total, 3 non binders)

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Compound Name

Fluconazole

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Approved

Compound Info

Synonyms

Afungil; Alflucoz; Baten; Beagyne; Biocanol; Biozolene; Canzol; Cryptal; Diflazon; Diflucan; Dimycon; Elazor; FCZ; FLCZ; Flucazol; FlucoLich; Flucobeta; Fluconazol; Fluconazolum; Flucostat; Flukezol; Flunazul; Flunizol; Fluzone; Forcan; Fuconal; Fungata; Lavisa; Loitin; Mutum; Neofomiral; Oxifugol; Oxifungol; Pritenzol; Solacap; Syscan; TPF; Triflucan; Zemyc; Zoltec; Zonal; AbZ Brand of Fluconazole; Aliud Brand of Fluconazole; Alpharma Brand of Fluconazole; Apo Fluconazole; Apotex Brand of Fluconazole; Armstrong Brand of Fluconazole; Betapharm Brand of Fluconazole; Chemia Brand of Fluconazole; Ct Arzneimittel Brand of Fluconazole; Effik Brand of Fluconazole; Fluc Hexal; Fluconazol AL; Fluconazol AbZ; Fluconazol Isis; Fluconazol Stada; Fluconazol [Spanish]; Fluconazol ratiopharm; Fluconazol von ct; Fluconazolum [Latin]; Hexal Brand of Fluconazole; Lesvi Brand of Fluconazole; Lichtenstein Brand of Fluconazole; Mack Brand of Fluconazole; Pfizer Brand of Fluconazole; Pfleger Brand of Fluconazole; Ratiopharm Brand of Fluconazole; SAT Brand of Fluconazole; Silanes Brand of Fluconazole; Stada Brand of Fluconazole; Vita Brand of Fluconazole; F0677; Fluconazole in combination with MGCD290; UK 49858; UK49858; Alfumet (TN); Apo-Fluconazole; Ct-Arzneimittel Brand of Fluconazole; DIFLUCAN IN DEXTROSE 5% IN PLASTIC CONTAINER; DRG-0005; Diflucan (TN); Fluconazol-Isis; Fluconazol-ratiopharm; Fluconazole & Bovine Lactoferrin; Fluconazole & Human recombinant granulocyte colony stimulating factor; Fluconazole & hGCSF; Fluconazole in dextrose 5% in plastic container; Flucytosine & Nyotran; GL663142 & Fluconazole; KS-1059; Trican (TN); UK-49858; DIFLUCAN IN SODIUM CHLORIDE 0.9%; DIFLUCAN IN SODIUM CHLORIDE 0.9%IN PLASTIC CONTAINER; Fluconazole in sodium chloride 0.9%; Fluconazole in sodium chloride 0.9% in plastic container; Flucytosine & Nyotran(Liposomal Nystatin); XMP.284 & Fluconazole; XMP.366 & Fluconazole; XMP.391 & Fluconazole; Diflucan, Trican, Alfumet, Fluconazole; Fluconazole & MC-510,011; Fluconazole (JAN/USAN/INN); Fluconazole [USAN:INN:BAN:JAN]; 2,4-Difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; 2,4-difluoro-,1-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol; 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL; 2-(2,4-Difluoro-phenyl)-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; 2-(2,4-Difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol; 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

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Activity

IC50 > 200000 nM

[6]

Compound Name

N-[(8R,9S,10R,13S,14S)-17-(Benzimidazol-1-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine

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Investigative

Compound Info

Synonyms

SCHEMBL939942; CHEMBL3350336

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Activity

IC50 = 258000 nM

[5]

Compound Name

3-Capabh

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Investigative

Compound Info

Synonyms

CHEMBL281947; 1-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione; 3-Azabicyclo[3.1.0]hexane-2,4-dione,1-(4-aminophenyl)-3-(cyclohexylmethyl)-; ACMC-20mv6j; SCHEMBL2351895; CTK4B8914; DTXSID20928373; BDBM50011762; 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione; 1-(4-Aminophenyl)-3-cyclohexylmethyl-3-azabicyclo[3.1.0]hexane-2,4-dione; 1-(4-Amino-phenyl)-3-cyclohexylmethyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione

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Activity

IC50 > 330000 nM

[1]

References

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REF 1

Synthesis and aromatase inhibitory activity of novel 1-(4-aminophenyl)-3-azabicyclo[3.1.0]hexane- and -[3.1.1]heptane-2,4- diones. J Med Chem. 1991 Apr;34(4):1329-34.

REF 2

3- and 4-pyridylalkyl adamantanecarboxylates: inhibitors of human cytochrome P450(17 alpha) (17 alpha-hydroxylase/C17,20-lyase). Potential nonsteroidal agents for the treatment of prostatic cancer. J Med Chem. 1996 Aug 16;39(17):3319-23.

REF 3

US patent application no. 9487554B2, Estra-1,3,5(10),16-tetraene-3-carboxamide derivatives, processes for their preparation, pharmaceutical preparations comprising them and their use for preparing medicaments

REF 4

Synthesis and evaluation of pregnane derivatives as inhibitors of human testicular 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 1996 Oct 11;39(21):4335-9.

REF 5

Systematic structure modifications of multitarget prostate cancer drug candidate galeterone to produce novel androgen receptor down-regulating agents as an approach to treatment of advanced prostate cancer. J Med Chem. 2013 Jun 27;56(12):4880-98.

REF 6

Design and optimization of highly-selective, broad spectrum fungal CYP51 inhibitors. Bioorg Med Chem Lett. 2017 Aug 1;27(15):3243-3248.

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