Drug Information

Drug General Information
Drug ID
DXU7PQ
Drug Name
(4aR,10bR)-4,10b-Dimethyl-8-phenylethynyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
Synonyms
CHEMBL128303
Indication Discovery agent Investigative [1587926]
Formula
C23H23NO
Canonical SMILES
CN1[C@@H]2CCc3cc(ccc3[C@@]2(C)CCC1=O)C#Cc4ccccc4
InChI
InChI=1S/C23H23NO/c1-23-15-14-22(25)24(2)21(23)13-11-19-16-18(10-12-20(19)23)9-8-17-6-4-3-5-7-17/h3-7,10,12,16,21H,11,13-15H2,1-2H3/t21-,23-/m1/s1
InChIKey
JGCGLZKKCJACMB-FYYLOGMGSA-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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