mirabegron

Ligand id: 7445

Name: mirabegron

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 128.51
Molecular weight 396.16
XLogP 3.83
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
Potential off-targets and any clinical relevance of off-target activity of mirabegron are discussed by Dehvari et al. (2017) [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
β3-adrenoceptor Hs Agonist Agonist 7.7 pEC50 - 4
pEC50 7.7 (EC50 2.24x10-8 M) [4]
β1-adrenoceptor Hs Agonist Agonist <5.0 pEC50 - 4
pEC50 <5.0 (EC50 >1x10-5 M) [4]
β2-adrenoceptor Hs Agonist Agonist <5.0 pEC50 - 4
pEC50 <5.0 (EC50 >1x10-5 M) [4]
Ligand mentioned in the following text fields