A-349821

Ligand id: 1217

Name: A-349821

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 97.36
Molecular weight 320.15
XLogP 0.49
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
H3 receptor Antagonist Inverse agonist 9.4 pKi - 1
pKi 9.4 [1]
H1 receptor Antagonist Inverse agonist 5.6 pKi - 1
pKi 5.6 [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
H3 receptor Antagonist Inverse agonist 8.8 pKi - 1
pKi 8.8 [1]