Drug Information

Drug General Information
Drug ID
DX2NCI
Drug Name
(4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid [1-(4-chloro-phenyl)-cyclopentyl]-amide
Synonyms
CHEMBL420415
Indication Discovery agent Investigative [1587926]
Formula
C30H39ClN2O2
Canonical SMILES
C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC5(CCCC5)c6ccc(Cl)cc6
InChI
InChI=1S/C30H39ClN2O2/c1-28-17-13-23-21(9-12-25-29(23,2)18-14-26(34)32-25)22(28)10-11-24(28)27(35)33-30(15-3-4-16-30)19-5-7-20(31)8-6-19/h5-8,14,18,21-25H,3-4,9-13,15-17H2,1-2H3,(H,32,34)(H,33,35)/t21?,22?,23?,24-,25?,28+,29-/m1/s1
InChIKey
JQKANSBWFRBIRJ-NNIJWKEASA-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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