Drug General Information
Drug ID
DX1SE7
Drug Name
(S)-N-(3-(3-(1,3,4-thiadiazol-2-yl)phenyl)-1-(cyanomethylamino)-1-oxopropan-2-yl)-3-tert-butyl-1-methyl-1H-pyrazole-5-carboxamide
Synonyms
CHEMBL549378
Indication Discovery agent Investigative [1587926]
Formula
C22H25N7O2S
Canonical SMILES
Cn1nc(cc1C(=O)N[C@@H](Cc2cccc(c2)c3nncs3)C(=O)NCC#N)C(C)(C)C
InChI
InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)/t16-/m0/s1
InChIKey
ACGFKLACOBPYKQ-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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