Drug General Information
Drug ID
DX9HRP
Drug Name
9-Cyclopentyl-6-(2-{4-[2-(4-methyl-piperazin-1-yl)-ethoxy]-benzyloxy}-phenylamino)-9H-purine-2-carbonitrile
Synonyms
CHEMBL189730
Indication Discovery agent Investigative [1587926]
Formula
C31H36N8O2
Canonical SMILES
CN1CCN(CCOc2ccc(COc3ccccc3Nc4nc(nc5c4ncn5C6CCCC6)C#N)cc2)CC1
InChI
InChI=1S/C31H36N8O2/c1-37-14-16-38(17-15-37)18-19-40-25-12-10-23(11-13-25)21-41-27-9-5-4-8-26(27)34-30-29-31(36-28(20-32)35-30)39(22-33-29)24-6-2-3-7-24/h4-5,8-13,22,24H,2-3,6-7,14-19,21H2,1H3,(H,34,35,36)
InChIKey
WAQLYLNMWXUBCF-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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