Drug General Information
Drug ID
DXI3OK
Drug Name
(S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-1H-pyrazol-1-yl)butan-2-yl (S)-2-oxo-1-(pyridine-2-sulfonamido)heptan-3-ylcarbamate
Synonyms
CHEMBL393673
Indication Discovery agent Investigative [1587926]
Formula
C29H36F3N5O5S
Canonical SMILES
CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c3ccccn3
InChI
InChI=1S/C29H36F3N5O5S/c1-5-6-9-23(24(38)17-35-43(40,41)26-10-7-8-15-33-26)36-27(39)42-25(28(2,3)4)19-37-18-21(16-34-37)20-11-13-22(14-12-20)29(30,31)32/h7-8,10-16,18,23,25,35H,5-6,9,17,19H2,1-4H3,(H,36,39)/t23-,25+/m0/s1
InChIKey
GMHBWGMFTPGDOI-UKILVPOCSA-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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