Drug General Information
Drug ID
DXGM3N
Drug Name
(4-chloro-2-trifluoromethyl-phenyl)-carbamic acid 1-{[3-benzenesulfonyl-(1S)-1-phenethyl-allylcarbamoyl]-methyl}-(3R)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethylester
Synonyms
CHEMBL402455
Indication Discovery agent Investigative [1587926]
Formula
C43H36ClF3N4O6S
Canonical SMILES
FC(F)(F)c1cc(Cl)ccc1NC(=O)OC[C@H]2N=C(c3ccccc3)c4ccccc4N(CC(=O)N[C@@H](CCc5ccccc5)\\C=C\\S(=O)(=O)c6ccccc6)C2=O
InChI
InChI=1S/C43H36ClF3N4O6S/c44-31-21-23-36(35(26-31)43(45,46)47)50-42(54)57-28-37-41(53)51(38-19-11-10-18-34(38)40(49-37)30-14-6-2-7-15-30)27-39(52)48-32(22-20-29-12-4-1-5-13-29)24-25-58(55,56)33-16-8-3-9-17-33/h1-19,21,23-26,32,37H,20,22,27-28H2,(H,48,52)(H,50,54)/b25-24+/t32-,37+/m0/s1
InChIKey
NJRZPPVQNUUPRV-JZPORDAXSA-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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