Drug General Information
Drug ID
DXO4BX
Drug Name
4-Methyl-2-(3-pyridin-4-yl-phenyl)-pentanoic acid cyanomethyl-(2,2,2-trifluoro-acetoxy)-amide
Synonyms
CHEMBL125656
Indication Discovery agent Investigative [1587926]
Formula
C21H20F3N3O3
Canonical SMILES
CC(C)CC(C(=O)N(CC#N)OC(=O)C(F)(F)F)c1cccc(c1)c2ccncc2
InChI
InChI=1S/C21H20F3N3O3/c1-14(2)12-18(19(28)27(11-8-25)30-20(29)21(22,23)24)17-5-3-4-16(13-17)15-6-9-26-10-7-15/h3-7,9-10,13-14,18H,11-12H2,1-2H3
InChIKey
CNLRAYSXYSIRHX-UHFFFAOYSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin L Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Phagosome
Antigen processing and presentation
Proteoglycans in cancer
Rheumatoid arthritis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_16:IL4 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-1236977:Endosomal/Vacuolar pathway
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast SignalingWP2572:Primary Focal Segmental Glomerulosclerosis FSGS
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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