MK-0873

Ligand id: 9853

Name: MK-0873

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 90.41
Molecular weight 422.14
XLogP 5.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
MK-0873 inhibits LPS-induced production of TNF-α in human whole blood assays. Only the IC50 of MK-0873 vs. PDE4A is defined in [1], but the authors state less than a 5-fold difference in the IC50 values across the 4 PDE4 isozymes (4A, 4B, 4C and 4D).
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Parameter Concentration range (M) Reference
phosphodiesterase 4A Hs Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]