Drug Information

Drug General Information
Drug ID
DXT1PC
Drug Name
(R)-3-{(2S,3S)-3-[2-(2,6-Diethyl-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyryl}-thiazolidine-4-carboxylic acid tert-butylamide
Synonyms
CHEMBL298975
Indication Discovery agent Investigative [1587926]
Formula
C30H41N3O5S
Canonical SMILES
CCc1cccc(CC)c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N3CSC[C@H]3C(=O)NC(C)(C)C
InChI
InChI=1S/C30H41N3O5S/c1-6-21-14-11-15-22(7-2)27(21)38-17-25(34)31-23(16-20-12-9-8-10-13-20)26(35)29(37)33-19-39-18-24(33)28(36)32-30(3,4)5/h8-15,23-24,26,35H,6-7,16-19H2,1-5H3,(H,31,34)(H,32,36)/t23-,24-,26-/m0/s1
InChIKey
UXIZNKGRWHSJDJ-GNKBHMEESA-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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