Drug General Information
Drug ID
DX8SKL
Drug Name
17-Diisopropylcarbamoyl-13-methyl-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL353414
Indication Discovery agent Investigative [1587926]
Formula
C26H33NO3
Canonical SMILES
CC(C)N(C(C)C)C(=O)[C@H]1CCC2c3ccc4cc(ccc4c3CC[C@]12C)C(=O)O
InChI
InChI=1S/C26H33NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h6-9,14-16,22-23H,10-13H2,1-5H3,(H,29,30)/t22?,23-,26+/m1/s1
InChIKey
IDWVVOIQOHQNEX-AGRRDESQSA-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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