Drug General Information
Drug ID
DX7C6Q
Drug Name
(S)-3,3-dimethyl-1-(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-1-yl)butan-2-yl (S)-3-oxo-4-(pyridine-2-sulfonamido)butan-2-ylcarbamate
Synonyms
CHEMBL540964
Indication Discovery agent Investigative [1587926]
Formula
C26H30F3N5O5S
Canonical SMILES
C[C@H](NC(=O)O[C@H](Cn1ccc(n1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c3ccccn3
InChI
InChI=1S/C26H30F3N5O5S/c1-17(21(35)15-31-40(37,38)23-7-5-6-13-30-23)32-24(36)39-22(25(2,3)4)16-34-14-12-20(33-34)18-8-10-19(11-9-18)26(27,28)29/h5-14,17,22,31H,15-16H2,1-4H3,(H,32,36)/t17-,22+/m0/s1
InChIKey
KCXVQPRWXYAYNA-HTAPYJJXSA-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.