Drug General Information
Drug ID
DXVK5Y
Drug Name
{(S)-3-Methyl-1-[4-oxo-1-(4-phenoxy-benzoyl)-pyrrolidin-3-ylcarbamoyl]-butyl}-carbamic acid benzyl ester
Synonyms
CHEMBL119219
Indication Discovery agent Investigative [1587926]
Formula
C31H33N3O6
Canonical SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC2CN(CC2=O)C(=O)c3ccc(Oc4ccccc4)cc3
InChI
InChI=1S/C31H33N3O6/c1-21(2)17-26(33-31(38)39-20-22-9-5-3-6-10-22)29(36)32-27-18-34(19-28(27)35)30(37)23-13-15-25(16-14-23)40-24-11-7-4-8-12-24/h3-16,21,26-27H,17-20H2,1-2H3,(H,32,36)(H,33,38)/t26-,27?/m0/s1
InChIKey
JKRSRTFLHYYBQJ-QBHOUYDASA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin L Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Phagosome
Antigen processing and presentation
Proteoglycans in cancer
Rheumatoid arthritis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_16:IL4 Signaling Pathway
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Trafficking and processing of endosomal TLR
MHC class II antigen presentationR-HSA-1236977:Endosomal/Vacuolar pathway
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast SignalingWP2572: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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