carvedilol

Ligand id: 551

Name: carvedilol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 75.74
Molecular weight 406.19
XLogP 4.06
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!)

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 Antagonist Antagonist 9.4 – 9.9 pKi - 1-2
pKi 9.4 – 9.9 [1-2]
β1-adrenoceptor Antagonist Antagonist 9.5 pKi - 2
pKi 9.5 [2]
β3-adrenoceptor Antagonist Antagonist 9.4 pKi - 2
pKi 9.4 [2]
Ligand mentioned in the following text fields