abediterol

Ligand id: 9326

Name: abediterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 13
Topological polar surface area 90.82
Molecular weight 460.22
XLogP 5.09
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
Abediterol is functionally selective for β2-adrenoceptors over β1-adrenoceptors in cAMP production assays (showing 40-fold selectivity for β2 subtype receptors) [1]. In the same set of experiments salmeterol showed over 500-fold selectivity for β2-adrenoceptors.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
β2-adrenoceptor Agonist Full agonist 9.2 pIC50 - 1
pIC50 9.2 (IC50 6x10-10 M) [1]
Description: Membrane radioligand displacement assay using [3H]CGP12177 as tracer.
β1-adrenoceptor Agonist Agonist 7.4 pIC50 - 1
pIC50 7.4 (IC50 3.62x10-8 M) [1]
Description: Membrane radioligand displacement assay using [3H]CGP12177 as tracer.
β3-adrenoceptor Agonist Agonist 5.5 pIC50 - 1
pIC50 5.5 (IC50 3.001x10-6 M) [1]