Drug General Information
Drug ID
DX6GE4
Drug Name
(S)-3-tert-butyl-N-(1-(cyanomethylamino)-3-(3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-1-oxopropan-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
Synonyms
CHEMBL550872
Indication Discovery agent Investigative [1587926]
Formula
C23H27N7O3
Canonical SMILES
Cc1oc(nn1)c2cccc(C[C@H](NC(=O)c3cc(nn3C)C(C)(C)C)C(=O)NCC#N)c2
InChI
InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)/t17-/m0/s1
InChIKey
BPIZQAAUSWBFNS-KRWDZBQOSA-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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