Drug General Information
Drug ID
DX7VEL
Drug Name
[(S)-2-(3-Fluoro-phenyl)-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
CHEMBL116041
Indication Discovery agent Investigative [1587926]
Formula
C22H22FN3O6S
Canonical SMILES
Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]3[C@H]4N(CCS4(=O)=O)C3=O)c1
InChI
InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/m0/s1
InChIKey
FNEUKBQFZSGMQF-UEXGIBASSA-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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