Drug Information

Drug General Information
Drug ID
DXW0GQ
Drug Name
(4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-4a,6a-dimethyl-10-propyl-hexadecahydro-indeno[5,4-f]quinolin-2-one
Synonyms
CHEMBL414427
Indication Discovery agent Investigative [1587926]
Formula
C29H51NO
Canonical SMILES
CCC[C@H]1CC2NC(=O)CC[C@]2(C)C3CC[C@]4(C)C(CCC4C13)C(C)CCCC(C)C
InChI
InChI=1S/C29H51NO/c1-7-9-21-18-25-29(6,17-15-26(31)30-25)24-14-16-28(5)22(12-13-23(28)27(21)24)20(4)11-8-10-19(2)3/h19-25,27H,7-18H2,1-6H3,(H,30,31)/t20?,21-,22?,23?,24?,25?,27?,28+,29+/m0/s1
InChIKey
ODUHNOOKAGMUBU-QMSIHEAASA-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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