Drug Information

Drug General Information
Drug ID
DX8QLU
Drug Name
(4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-1,4a,6a-trimethyl-10-phenyl-hexadecahydro-indeno[5,4-f]quinolin-2-one
Synonyms
CHEMBL339912
Indication Discovery agent Investigative [1587926]
Formula
C33H51NO
Canonical SMILES
CC(C)CCCC(C)C1CCC2C3[C@H](CC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c5ccccc5
InChI
InChI=1S/C33H51NO/c1-22(2)11-10-12-23(3)26-15-16-27-31-25(24-13-8-7-9-14-24)21-29-33(5,20-18-30(35)34(29)6)28(31)17-19-32(26,27)4/h7-9,13-14,22-23,25-29,31H,10-12,15-21H2,1-6H3/t23?,25-,26?,27?,28?,29?,31?,32-,33-/m1/s1
InChIKey
GCQGLOANGDRCOP-FNPWVMIOSA-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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