Drug Information

Drug General Information
Drug ID
DX5KA9
Drug Name
(1S,10aR,12aS)-10a,12a-Dimethyl-8-oxo-1,2,3,3a,3b,4,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-benzo[b]indeno[5,4-d]azepine-1-carboxylic acid diethylamide
Synonyms
CHEMBL78161
Indication Discovery agent Investigative [1587926]
Formula
C24H38N2O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CCC2C3CCNC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C24H38N2O2/c1-5-26(6-2)22(28)20-8-7-18-17-11-14-25-21-15-16(27)9-12-24(21,4)19(17)10-13-23(18,20)3/h15,17-20,25H,5-14H2,1-4H3/t17?,18?,19?,20-,23+,24-/m1/s1
InChIKey
JGGMMVXRXBIZQV-DCRVZYSOSA-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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