Drug General Information
Drug ID
DX4TEX
Drug Name
(4aR,6aS)-7-(3,4-Dihydro-2H-quinoline-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
CHEMBL327098
Indication Discovery agent Investigative [1587926]
Formula
C28H36N2O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)N5CCCc6ccccc56
InChI
InChI=1S/C28H36N2O2/c1-27-15-13-21-19(9-12-24-28(21,2)16-14-25(31)29-24)20(27)10-11-22(27)26(32)30-17-5-7-18-6-3-4-8-23(18)30/h3-4,6,8,14,16,19-22,24H,5,7,9-13,15,17H2,1-2H3,(H,29,31)/t19?,20?,21?,22?,24?,27-,28+/m0/s1
InChIKey
RRUPVLIBPJJDSA-ATJGPUORSA-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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