apremilast

Ligand id: 7372

Name: apremilast

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 127.46
Molecular weight 460.13
XLogP 2.06
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
Apremilast inhibits a crude extract of human PDE4 with an IC50 of 74nM [2] and has broad spectrum activity across isoforms from all four PDE4 sub-families (IC50s 10-100nM) [4].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
phosphodiesterase 4A Inhibitor Inhibition 7.8 pIC50 - 4
pIC50 7.8 (IC50 1.4x10-8 M) [4]
Description: Potency against recombinant human PDE4A1A isoform in a TR-FRET assay.
phosphodiesterase 4D Inhibitor Inhibition 7.5 pIC50 - 4
pIC50 7.5 (IC50 3.3x10-8 M) [4]
Description: Potency against recombinant human PDE4D2 isoform in a TR-FRET assay.
phosphodiesterase 4B Inhibitor Inhibition 7.4 – 7.6 pIC50 - 4
pIC50 7.4 – 7.6 (IC50 4.3x10-8 – 2.7x10-8 M) [4]
Description: Potency against recombinant human PDE4B1 and B2 isoforms in a TR-FRET assay.
phosphodiesterase 4C Inhibitor Inhibition 6.9 pIC50 - 4
pIC50 6.9 (IC50 1.18x10-7 M) [4]
Description: Potency against recombinant human PDE4C1 isoform in a TR-FRET assay.