CBS-3595

Ligand id: 9610

Name: CBS-3595

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 85.11
Molecular weight 356.11
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-yl]acetamide
Database Links
BindingDB Ligand 50130648
ChEMBL Ligand CHEMBL432798
PubChem CID 10450926
Search Google for chemical match using the InChIKey CJKGORBZVWDVRY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CJKGORBZVWDVRY
Search UniChem for chemical match using the InChIKey CJKGORBZVWDVRY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CJKGORBZVWDVRY
Comments
CBS-3595 is a dual inhibitor of p38α MAPK (MAPK14) and phosphodiesterase 4 (PDE-4) [1], a mechanism that represents a novel approach that may be useful for the treatment of pulmonary diseases (e.g. asthma and COPD) as well as other inflammatory diseases, for which there still exists a high level of unmet clinical need. The term Cytokine-Suppressive Anti-Inflammatory Drugs (CSAIDs) has been coined to describe compounds exploiting molecular mechanisms such as that targeted by CBS-3595.