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

References
1. Albrecht W, Unger A, Bauer SM, Laufer SA. (2017)
Discovery of N-{4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα-Related Diseases.
J. Med. Chem.60 (13): 5290-5305. [PMID:28613871]