Drug General Information
Drug ID
DX8KAF
Drug Name
2-Cyano-17-diisopropylcarbamoyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL1628011
Indication Discovery agent Investigative [1587926]
Formula
C27H36N2O3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(=O)O)c(cc4[C@H]3CC[C@]12C)C#N
InChI
InChI=1S/C27H36N2O3/c1-15(2)29(16(3)4)25(30)24-9-8-23-20-7-6-17-12-22(26(31)32)18(14-28)13-21(17)19(20)10-11-27(23,24)5/h12-13,15-16,19-20,23-24H,6-11H2,1-5H3,(H,31,32)/t19-,20+,23-,24+,27-/m0/s1
InChIKey
KLHGWERKVKRNHM-XEFJNMLLSA-N
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Target Info [1587926]
3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info [1587926]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesishsa00140:Steroid hormone biosynthesis
Prostate cancer
NetPath Pathway IL2 Signaling Pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Androgen biosynthesisR-HSA-193048:Androgen biosynthesis
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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