labetalol

Ligand id: 7207

Name: labetalol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 96.57
Molecular weight 328.18
XLogP 5.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
This drug is a non-selective adrenoceptor agonist.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
β1-adrenoceptor Antagonist Antagonist 8.2 pKi - 1
pKi 8.2 (Ki 5.84x10-9 M) [1]
β2-adrenoceptor Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 (Ki 1.1x10-8 M) [1]
α1D-adrenoceptor Antagonist Antagonist 6.6 pKi - 1
pKi 6.6 (Ki 2.56x10-7 M) [1]