Drug General Information
Drug ID
DX9TXT
Drug Name
(S)-1-(5,6-dichloro-1H-benzo[d]imidazol-1-yl)-3,3-dimethylbutan-2-yl (S)-2-oxo-1-(pyridine-2-sulfonamido)heptan-3-ylcarbamate
Synonyms
CHEMBL232713
Indication Discovery agent Investigative [1587926]
Formula
C26H33Cl2N5O5S
Canonical SMILES
CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c3ccccn3
InChI
InChI=1S/C26H33Cl2N5O5S/c1-5-6-9-19(22(34)14-31-39(36,37)24-10-7-8-11-29-24)32-25(35)38-23(26(2,3)4)15-33-16-30-20-12-17(27)18(28)13-21(20)33/h7-8,10-13,16,19,23,31H,5-6,9,14-15H2,1-4H3,(H,32,35)/t19-,23+/m0/s1
InChIKey
CTAIZAPBSQNUAF-WMZHIEFXSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin B Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Antigen processing and presentation
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_11:TCR Signaling Pathway
IL2 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-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast Signaling
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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