Drug General Information
Drug ID
DXA8FV
Drug Name
(R)-N-(1-cyano-cyclopropyl)-3-methanesulfonyl-2-[(S)-2,2,2-trifluoro-1-(4'-fluoro-biphenyl-4-yl)-ethylamino]-propionamide
Synonyms
CHEMBL248889
Indication Discovery agent Investigative [1587926]
Formula
C22H21F4N3O3S
Canonical SMILES
CS(=O)(=O)C[C@H](N[C@@H](c1ccc(cc1)c2ccc(F)cc2)C(F)(F)F)C(=O)NC3(CC3)C#N
InChI
InChI=1S/C22H21F4N3O3S/c1-33(31,32)12-18(20(30)29-21(13-27)10-11-21)28-19(22(24,25)26)16-4-2-14(3-5-16)15-6-8-17(23)9-7-15/h2-9,18-19,28H,10-12H2,1H3,(H,29,30)/t18-,19-/m0/s1
InChIKey
ZBNVNRCRULQVAR-OALUTQOASA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.