Drug Information

Drug General Information
Drug ID
DXB4CY
Drug Name
(4aR,10bR)-8-((E)-2-Isoquinolin-4-yl-vinyl)-4,10b-dimethyl-1,4,4a,5,6,10b-hexahydro-2H-benzo[f]quinolin-3-one
Synonyms
CHEMBL340961
Indication Discovery agent Investigative [1587926]
Formula
C26H26N2O
Canonical SMILES
CN1[C@@H]2CCc3cc(\\C=C\\c4cncc5ccccc45)ccc3[C@@]2(C)CCC1=O
InChI
InChI=1S/C26H26N2O/c1-26-14-13-25(29)28(2)24(26)12-10-19-15-18(8-11-23(19)26)7-9-21-17-27-16-20-5-3-4-6-22(20)21/h3-9,11,15-17,24H,10,12-14H2,1-2H3/b9-7+/t24-,26-/m1/s1
InChIKey
AVSCJIDSYOHITA-WDWPAEOMSA-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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