amlexanox

Ligand id: 7113

Name: amlexanox

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 102.51
Molecular weight 298.1
XLogP 3.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
We have been unable to find publicly available bioactivity data for this drug at its proposed molecular target to substantiate its MMOA, and have therefore not tagged a primary drug target.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
inhibitor of nuclear factor kappa B kinase subunit epsilon Inhibitor Inhibition 5.7 – 6.0 pIC50 - 5
pIC50 5.7 – 6.0 (IC50 2x10-6 – 1x10-6 M) [5]
Description: Inhibition of substrate phosphorylation.
TANK binding kinase 1 Inhibitor Inhibition 5.7 – 6.0 pIC50 - 5
pIC50 5.7 – 6.0 (IC50 2x10-6 – 1x10-6 M) [5]
Description: Inhibition of substrate phosphorylation.