Drug General Information
Drug ID
DX4OEU
Drug Name
(S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-1H-pyrazol-1-yl)butan-2-yl(S)-1-(1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-ylcarbamate
Synonyms
CHEMBL190053
Indication Discovery agent Investigative [1587926]
Formula
C27H33F3N6O4
Canonical SMILES
CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc3ccn[nH]3
InChI
InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1
InChIKey
KXZLSPLTNDGSNP-LEWJYISDSA-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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