Drug Information

Drug General Information
Drug ID
DX6B1S
Drug Name
(1S,9aR,11aS)-6-Bromo-5,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid adamantan-1-ylamide
Synonyms
CHEMBL76260
Indication Discovery agent Investigative [1587926]
Formula
C30H43BrN2O2
Canonical SMILES
CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]7(C)CCC(=O)C(=C17)Br
InChI
InChI=1S/C30H43BrN2O2/c1-28-8-6-22-20(16-33(3)26-25(31)24(34)7-9-29(22,26)2)21(28)4-5-23(28)27(35)32-30-13-17-10-18(14-30)12-19(11-17)15-30/h17-23H,4-16H2,1-3H3,(H,32,35)/t17?,18?,19?,20?,21?,22?,23-,28+,29-,30?/m1/s1
InChIKey
DOEJDCHCRADDKZ-GAPWEVFUSA-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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