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

Immunopharmacology Comments
p38α MAPK and PDE-4 are two inflammation-related enzymes, suggesting potential benefit of dual inhibition in inflammatory conditions, especially those drive by TNFα. The dual inhibitor CBS-3595 is reported to attenuate inappropriate or excessive TNFα levels in relevant preclinical animal models [1]. This inhibitor functions at a level upstream of the actions of the anti-TNFα biologic therapies currently used in chronic inflammatory diseases, which rather than preventing TNFα biosynthesis or signalling, act to bind and neutralise freely circulating cytokine. In addition, small molecule therapies would help overcome some of the crucial limitations associated with the biological TNFα inhibitors (e.g. high level of non-responders, issues arising from their route of administration, and high costs).