Drug General Information
Drug ID
DX3JCG
Drug Name
(S)-3-Methyl-2-(3-naphthalen-1-yl-thioureido)-pentanoic acid [(R)-1-formyl-2-(1H-indol-3-yl)-ethyl]-amide
Synonyms
CHEMBL1790994
Indication Discovery agent Investigative [1587926]
Formula
C28H30N4O2S
Canonical SMILES
CC[C@@H](C)[C@H](\\N=C(/S)\\Nc1cccc2ccccc12)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C=O
InChI
InChI=1S/C28H30N4O2S/c1-3-18(2)26(32-28(35)31-25-14-8-10-19-9-4-5-11-22(19)25)27(34)30-21(17-33)15-20-16-29-24-13-7-6-12-23(20)24/h4-14,16-18,21,26,29H,3,15H2,1-2H3,(H,30,34)(H2,31,32,35)/t18-,21-,26+/m1/s1
InChIKey
ZDJKOPMEVPPKBM-OFUUFJSKSA-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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