crisaborole

Ligand id: 9151

Name: crisaborole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 62.48
Molecular weight 251.08
XLogP 2.68
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
Inhibits partially purified human PDE4 with an IC50 of 490nM, and inhibits cytokine release in vitro and in vivo [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
phosphodiesterase 7A Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 7.3x10-7 M) [1]
phosphodiesterase 1A Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6.1x10-6 M) [1]
phosphodiesterase 4B Inhibitor Inhibition - - - 1
[1]