Drug General Information
Drug ID
DX4Q6Z
Drug Name
(8S,9S,10R,13S,14S,17S)-17-(diisopropylcarbamoyl)-4,10,13-trimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL575992
Indication Discovery agent Investigative [1587926]
Formula
C28H43NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C(=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O)C
InChI
InChI=1S/C28H43NO3/c1-16(2)29(17(3)4)25(30)24-11-10-22-20-8-9-21-18(5)19(26(31)32)12-14-27(21,6)23(20)13-15-28(22,24)7/h9,16-17,20,22-24H,8,10-15H2,1-7H3,(H,31,32)/t20-,22-,23-,24+,27-,28-/m0/s1
InChIKey
ABJZRFNMYUZPFJ-TYAFZJHSSA-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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