astemizole

Ligand id: 2603

Name: astemizole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 42.32
Molecular weight 458.25
XLogP 6.61
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
H1 receptor Antagonist Antagonist 8.5 pKi - 4
pKi 8.5 (Ki 3x10-9 M) [4]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv11.1 Channel blocker - 9.0 pIC50 - 5
pIC50 9.0 (IC50 1x10-9 M) [5]
Kv10.1 Channel blocker - 6.7 pIC50 - 2
pIC50 6.7 [2]