Drug Information

Drug General Information
Drug ID
DX5PLA
Drug Name
(10R,13S,17S)-6,10,13-Trimethyl-17-(naphthalene-1-carbonyl)-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Synonyms
CHEMBL284434
Indication Discovery agent Investigative [1587926]
Formula
C32H36O3
Canonical SMILES
CC1=C2C=C(CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)c5cccc6ccccc56)C3C1)C(=O)O
InChI
InChI=1S/C32H36O3/c1-19-17-24-25-11-12-27(29(33)23-10-6-8-20-7-4-5-9-22(20)23)31(25,2)16-14-26(24)32(3)15-13-21(30(34)35)18-28(19)32/h4-10,18,24-27H,11-17H2,1-3H3,(H,34,35)/t24?,25?,26?,27-,31+,32-/m1/s1
InChIKey
HYWSTOHRELDBBD-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

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