ibudilast

Ligand id: 7399

Name: ibudilast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 34.37
Molecular weight 230.14
XLogP 2.8
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
Ibudilast is predominantly a PDE4 inhibitor [3]. Ibudilast has been identified as a negative allosteric modulator of macrophage migration inhibitory factor [2].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
phosphodiesterase 4A Hs Inhibitor Inhibition 7.3 pIC50 - 3
pIC50 7.3 (IC50 5.4x10-8 M) [3]
phosphodiesterase 4B Hs Inhibitor Inhibition 7.2 pIC50 - 3
pIC50 7.2 (IC50 6.5x10-8 M) [3]
phosphodiesterase 4C Hs Inhibitor Inhibition 6.6 pIC50 - 3
pIC50 6.6 (IC50 2.39x10-7 M) [3]
phosphodiesterase 5A Hs Inhibitor Inhibition 4.0 pIC50 - 1
pIC50 4.0 (IC50 1.03x10-4 M) [1]
phosphodiesterase 3A Hs Inhibitor Inhibition 3.5 pIC50 - 1
pIC50 3.5 (IC50 2.99x10-4 M) [1]
Selectivity at ligand targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
macrophage migration inhibitory factor Hs Allosteric modulator Negative 4.5 pKi - 2
pKi 4.5 (Ki 3.09x10-5 M) [2]
Description: Measuring reduction in tautomerase activity of MIF in the presence of ibudilast.