Drug General Information
Drug ID
DX4JJF
Drug Name
(4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-1,4a,6a,10-tetramethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-indeno[5,4-f]quinolin-2-one
Synonyms
CHEMBL128023
Indication Discovery agent Investigative [1587926]
Formula
C28H47NO
Canonical SMILES
CC(C)CCCC(C)C1CCC2C3[C@@H](C)CC4N(C)C(=O)C=C[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C28H47NO/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24-28(6,16-14-25(30)29(24)7)23(26)13-15-27(21,22)5/h14,16,18-24,26H,8-13,15,17H2,1-7H3/t19?,20-,21?,22?,23?,24?,26?,27+,28+/m0/s1
InChIKey
PVJNSDNELNARLT-WOCATEOUSA-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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