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 GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Inhibits partially purified human PDE4 with an IC50 of 490nM, and inhibits cytokine release in vitro and in vivo [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
phosphodiesterase 7A Hs Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 7.3x10-7 M) [1]
phosphodiesterase 1A Hs Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6.1x10-6 M) [1]
phosphodiesterase 4B Hs Inhibitor Inhibition - - - 1
[1]