Drug General Information
Drug ID
DXPI5U
Drug Name
[(S)-2-Naphthalen-2-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
CHEMBL323638
Indication Discovery agent Investigative [1587926]
Formula
C26H25N3O6S
Canonical SMILES
O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]3[C@H]4N(CCS4(=O)=O)C3=O)OCc5ccccc5
InChI
InChI=1S/C26H25N3O6S/c30-23(28-22-24(31)29-12-13-36(33,34)25(22)29)21(27-26(32)35-16-17-6-2-1-3-7-17)15-18-10-11-19-8-4-5-9-20(19)14-18/h1-11,14,21-22,25H,12-13,15-16H2,(H,27,32)(H,28,30)/t21-,22+,25-/m0/s1
InChIKey
XJEBMYGPXQJVFF-FBLLAGFSSA-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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