Drug Information

Drug General Information
Drug ID
DX4DVX
Drug Name
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid benzhydryl-amide
Synonyms
CHEMBL306948
Indication Discovery agent Investigative [1587926]
Formula
C32H36N2O2
Canonical SMILES
C[C@]12CCC3C(CN=C4C=C(O)C=C[C@]34C)C1CC[C@@H]2C(=O)NC(c5ccccc5)c6ccccc6
InChI
InChI=1S/C32H36N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15,17,19,24-27,29,35H,13-14,16,18,20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1
InChIKey
VJSJFLQAKIYKPB-XXRHFDIKSA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.