Drug General Information
Drug ID
DXG23V
Drug Name
5-Bromo-4-[2-(1-methyl-piperidin-4-yl)-ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-2-carbonitrile
Synonyms
CHEMBL526107
Indication Discovery agent Investigative [1587926]
Formula
C22H32BrN5O
Canonical SMILES
CN1CCC(CCOc2nc(nc(NCC3CCC4(CC3)CC4)c2Br)C#N)CC1
InChI
InChI=1S/C22H32BrN5O/c1-28-11-4-16(5-12-28)6-13-29-21-19(23)20(26-18(14-24)27-21)25-15-17-2-7-22(8-3-17)9-10-22/h16-17H,2-13,15H2,1H3,(H,25,26,27)
InChIKey
HJUPPNTXGDFNAO-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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