Drug Information

Drug General Information
Drug ID
DX9BD1
Drug Name
(1S,9aR,11aS)-9a,11a-Dimethyl-1-(naphthalene-1-carbonyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one
Synonyms
CHEMBL76637
Indication Discovery agent Investigative [1587926]
Formula
C29H33NO2
Canonical SMILES
C[C@]12CCC3C(CNC4=CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)c5cccc6ccccc56
InChI
InChI=1S/C29H33NO2/c1-28-15-13-24-22(17-30-26-16-19(31)12-14-29(24,26)2)23(28)10-11-25(28)27(32)21-9-5-7-18-6-3-4-8-20(18)21/h3-9,16,22-25,30H,10-15,17H2,1-2H3/t22?,23?,24?,25-,28+,29-/m1/s1
InChIKey
DJVGYSGUHKDBEY-VQWWMEOXSA-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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