Drug General Information
Drug ID
DX5H4O
Drug Name
2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid ((S)-1-benzyl-2-pyrrolidin-1-yl-ethyl)-amide
Synonyms
CHEMBL509262
Indication Discovery agent Investigative [1587926]
Formula
C28H36N6O
Canonical SMILES
O=C(N[C@H](CN1CCCC1)Cc2ccccc2)c3cnc(nc3NCC4CCC5(CC4)CC5)C#N
InChI
InChI=1S/C28H36N6O/c29-17-25-30-19-24(26(33-25)31-18-22-8-10-28(11-9-22)12-13-28)27(35)32-23(20-34-14-4-5-15-34)16-21-6-2-1-3-7-21/h1-3,6-7,19,22-23H,4-5,8-16,18,20H2,(H,32,35)(H,30,31,33)/t23-/m0/s1
InChIKey
ZFWPNYQSYFERIU-QHCPKHFHSA-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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