Drug General Information
Drug ID
DX0MEI
Drug Name
(S)-N-((S)-1-cyano-2-phenylethyl)-2-((S)-1-(4'-((R)-2,2-difluoro-1-hydroxyethyl)biphenyl-4-yl)-2,2,2-trifluoroethylamino)-4-fluoro-4-methylpentanamide
Synonyms
CHEMBL1288527
Indication Discovery agent Investigative [1587926]
Formula
C31H31F6N3O2
Canonical SMILES
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)c2ccc(cc2)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc3ccccc3)C#N
InChI
InChI=1S/C31H31F6N3O2/c1-30(2,34)17-25(29(42)39-24(18-38)16-19-6-4-3-5-7-19)40-27(31(35,36)37)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26(41)28(32)33/h3-15,24-28,40-41H,16-17H2,1-2H3,(H,39,42)/t24-,25-,26+,27-/m0/s1
InChIKey
KNPHXKWUIHWCRM-NFGXINMFSA-N
Target and Pathway
Target(s) Cathepsin L Target Info [1587926]
Cathepsin B Target Info [1587926]
KEGG Pathway Lysosome
Phagosome
Antigen processing and presentation
Proteoglycans in cancer
Rheumatoid arthritishsa04142:Lysosome
NetPath Pathway IL4 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 Signaling Pathway
Reactome Endosomal/Vacuolar pathway
Collagen degradation
Degradation of the extracellular matrix
Trafficking and processing of endosomal TLR
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentationR-HSA-1442490:Collagen degradation
MHC class II antigen presentation
WikiPathways Primary Focal Segmental Glomerulosclerosis FSGS
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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