Drug General Information
Drug ID
DXI7KR
Drug Name
(S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(1-(morpholine-4-carbonyl)cyclopropyl)biphenyl-4-yl)ethylamino)pentanamide
Synonyms
CHEMBL1288526
Indication Discovery agent Investigative [1587926]
Formula
C37H40F4N4O3
Canonical SMILES
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)c2ccc(cc2)C3(CC3)C(=O)N4CCOCC4)C(F)(F)F)C(=O)N[C@@H](Cc5ccccc5)C#N
InChI
InChI=1S/C37H40F4N4O3/c1-35(2,38)23-31(33(46)43-30(24-42)22-25-6-4-3-5-7-25)44-32(37(39,40)41)28-10-8-26(9-11-28)27-12-14-29(15-13-27)36(16-17-36)34(47)45-18-20-48-21-19-45/h3-15,30-32,44H,16-23H2,1-2H3,(H,43,46)/t30-,31-,32-/m0/s1
InChIKey
ZPVHBQIGHVBBKF-CPCREDONSA-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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