Drug Information

Drug General Information
Drug ID
DXP7PT
Drug Name
(1S,9aR,11aS)-1-(2,6-Difluoro-benzoyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one
Synonyms
CHEMBL306781
Indication Discovery agent Investigative [1587926]
Formula
C25H29F2NO2
Canonical SMILES
C[C@]12CCC3C(CNC4=CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)c5c(F)cccc5F
InChI
InChI=1S/C25H29F2NO2/c1-24-11-9-17-15(13-28-21-12-14(29)8-10-25(17,21)2)16(24)6-7-18(24)23(30)22-19(26)4-3-5-20(22)27/h3-5,12,15-18,28H,6-11,13H2,1-2H3/t15?,16?,17?,18-,24+,25-/m1/s1
InChIKey
VMHSXXYBIGKEMM-CDOGOKGZSA-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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