Drug General Information
Drug ID
DXX9UO
Drug Name
(10S,13S,17S)-17-Diisopropylcarbamoyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-5H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL27862
Indication Discovery agent Investigative [1587926]
Formula
C27H41NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4C=C(C=C[C@]4(C)C3CC[C@]12C)C(=O)O
InChI
InChI=1S/C27H41NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h11,13,15-17,19-23H,7-10,12,14H2,1-6H3,(H,30,31)/t19?,20?,21?,22?,23-,26+,27+/m1/s1
InChIKey
VCZWBSGVTXKGII-CDULULLLSA-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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