Drug Information

Drug General Information
Drug ID
DXAE4N
Drug Name
(1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid adamantan-1-ylamide
Synonyms
CHEMBL308107
Indication Discovery agent Investigative [1587926]
Formula
C30H42N2O2
Canonical SMILES
CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]7(C)C=CC(=O)C=C17
InChI
InChI=1S/C30H42N2O2/c1-28-9-7-24-22(17-32(3)26-13-21(33)6-8-29(24,26)2)23(28)4-5-25(28)27(34)31-30-14-18-10-19(15-30)12-20(11-18)16-30/h6,8,13,18-20,22-25H,4-5,7,9-12,14-17H2,1-3H3,(H,31,34)/t18?,19?,20?,22?,23?,24?,25-,28+,29-,30?/m1/s1
InChIKey
PZQBEQJPTLKNCJ-IYGWWRMHSA-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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