Drug Information

Drug General Information
Drug ID
DXO3AG
Drug Name
(4aR,6aS)-7-(Indole-1-carbonyl)-4a,6a-dimethyl-1,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-indeno[5,4-f]quinolin-2-one
Synonyms
CHEMBL321867
Indication Discovery agent Investigative [1587926]
Formula
C27H32N2O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)n5ccc6ccccc56
InChI
InChI=1S/C27H32N2O2/c1-26-14-11-20-18(7-10-23-27(20,2)15-12-24(30)28-23)19(26)8-9-21(26)25(31)29-16-13-17-5-3-4-6-22(17)29/h3-6,12-13,15-16,18-21,23H,7-11,14H2,1-2H3,(H,28,30)/t18?,19?,20?,21?,23?,26-,27+/m0/s1
InChIKey
ZKJLGJLBCWOCRC-TYRNGOFNSA-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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