Drug General Information
Drug ID
DX0WRI
Drug Name
(S)-N-((S)-1-cyano-2-phenylethyl)-3-phenyl-2-((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)biphenyl-4-yl)ethylamino)propanamide
Synonyms
CHEMBL1288529
Indication Discovery agent Investigative [1587926]
Formula
C33H30F3N3O3S
Canonical SMILES
CS(=O)(=O)c1ccc(cc1)c2ccc(cc2)[C@H](N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccccc4)C#N)C(F)(F)F
InChI
InChI=1S/C33H30F3N3O3S/c1-43(41,42)29-18-16-26(17-19-29)25-12-14-27(15-13-25)31(33(34,35)36)39-30(21-24-10-6-3-7-11-24)32(40)38-28(22-37)20-23-8-4-2-5-9-23/h2-19,28,30-31,39H,20-21H2,1H3,(H,38,40)/t28-,30-,31-/m0/s1
InChIKey
SDBNYBMBPYRBSJ-ASVWTAOFSA-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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