Drug General Information
Drug ID
DX8FOO
Drug Name
(S)-3,3-dimethyl-1-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)butan-2-yl (S)-2-oxo-1-(pyridine-2-sulfonamido)heptan-3-ylcarbamate
Synonyms
CHEMBL393354
Indication Discovery agent Investigative [1587926]
Formula
C27H36N6O5S
Canonical SMILES
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)c2ccncc2)C(C)(C)C)C(=O)CNS(=O)(=O)c3ccccn3
InChI
InChI=1S/C27H36N6O5S/c1-5-6-9-22(23(34)18-30-39(36,37)25-10-7-8-14-29-25)31-26(35)38-24(27(2,3)4)19-33-17-13-21(32-33)20-11-15-28-16-12-20/h7-8,10-17,22,24,30H,5-6,9,18-19H2,1-4H3,(H,31,35)/t22-,24+/m0/s1
InChIKey
NHFKTEZZOWFJBK-LADGPHEKSA-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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.