Drug General Information
Drug ID
DX9WR5
Drug Name
(S)-3-tert-butyl-N-(1-(cyanomethylamino)-3-(3-(5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl)phenyl)-1-oxopropan-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Synonyms
CHEMBL549791
Indication Discovery agent Investigative [1587926]
Formula
C23H27N7O4
Canonical SMILES
Cn1nc(cc1C(=O)N[C@@H](Cc2cccc(c2)c3oc(CO)nn3)C(=O)NCC#N)C(C)(C)C
InChI
InChI=1S/C23H27N7O4/c1-23(2,3)18-12-17(30(4)29-18)21(33)26-16(20(32)25-9-8-24)11-14-6-5-7-15(10-14)22-28-27-19(13-31)34-22/h5-7,10,12,16,31H,9,11,13H2,1-4H3,(H,25,32)(H,26,33)/t16-/m0/s1
InChIKey
ZZDKLZGEJYCCFB-INIZCTEOSA-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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