Drug General Information
Drug ID
DXA3UN
Drug Name
N-Cyanomethyl-3-cyclobutyl-2-[4'-(4-methyl-piperazin-1-yl)-biphenyl-3-yl]-propionamide
Synonyms
CHEMBL122043
Indication Discovery agent Investigative [1587926]
Formula
C26H32N4O
Canonical SMILES
CN1CCN(CC1)c2ccc(cc2)c3cccc(c3)C(CC4CCC4)C(=O)NCC#N
InChI
InChI=1S/C26H32N4O/c1-29-14-16-30(17-15-29)24-10-8-21(9-11-24)22-6-3-7-23(19-22)25(18-20-4-2-5-20)26(31)28-13-12-27/h3,6-11,19-20,25H,2,4-5,13-18H2,1H3,(H,28,31)
InChIKey
TYUMDJNJIRAFAF-UHFFFAOYSA-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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