Drug General Information
Drug ID
DXWX0D
Drug Name
[(S)-2-Pyridin-3-yl-1-((5S,6R)-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester
Synonyms
CHEMBL117928
Indication Discovery agent Investigative [1587926]
Formula
C21H22N4O6S
Canonical SMILES
O=C(N[C@@H](Cc1cccnc1)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)OCc4ccccc4
InChI
InChI=1S/C21H22N4O6S/c26-18(24-17-19(27)25-9-10-32(29,30)20(17)25)16(11-15-7-4-8-22-12-15)23-21(28)31-13-14-5-2-1-3-6-14/h1-8,12,16-17,20H,9-11,13H2,(H,23,28)(H,24,26)/t16-,17+,20-/m0/s1
InChIKey
GYLFZOHLIXAVRJ-QKLQHJQFSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin B Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Antigen processing and presentation
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 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-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast Signaling
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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