Drug General Information
Drug ID
DX8OT8
Drug Name
(4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid 1-[(3-dimethylcarbamoyl-(1S)-1-phenethyl-allylcarbamoyl)-methyl]-(3R)-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-ylmethyl ester
Synonyms
CHEMBL453738
Indication Discovery agent Investigative [1587926]
Formula
C40H37ClF3N5O5
Canonical SMILES
CN(C)C(=O)\\C=C\\[C@H](CCc1ccccc1)NC(=O)CN2C(=O)[C@@H](COC(=O)Nc3ccc(Cl)cc3C(F)(F)F)N=C(c4ccccc4)c5ccccc25
InChI
InChI=1S/C40H37ClF3N5O5/c1-48(2)36(51)22-20-29(19-17-26-11-5-3-6-12-26)45-35(50)24-49-34-16-10-9-15-30(34)37(27-13-7-4-8-14-27)46-33(38(49)52)25-54-39(53)47-32-21-18-28(41)23-31(32)40(42,43)44/h3-16,18,20-23,29,33H,17,19,24-25H2,1-2H3,(H,45,50)(H,47,53)/b22-20+/t29-,33+/m0/s1
InChIKey
WNAGPXLWCXTEKT-ZVYOEZKJSA-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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