Drug General Information
Drug ID
DX9O3R
Drug Name
(S)-2-amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pentanamide
Synonyms
CHEMBL514348
Indication Discovery agent Investigative [1587926]
Formula
C22H28N2O3S
Canonical SMILES
CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)\\C=C\\S(=O)(=O)c2ccccc2
InChI
InChI=1S/C22H28N2O3S/c1-2-9-21(23)22(25)24-19(15-14-18-10-5-3-6-11-18)16-17-28(26,27)20-12-7-4-8-13-20/h3-8,10-13,16-17,19,21H,2,9,14-15,23H2,1H3,(H,24,25)/b17-16+/t19-,21-/m0/s1
InChIKey
GLJZTHKUTGOBFU-LIIHMFIASA-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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