A-317920

Ligand id: 1216

Name: A-317920

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 92.09
Molecular weight 453.23
XLogP 2.12
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 Antagonist 7.0 pKi - 1-2
pKi 7.0 [1-2]
H1 receptor Antagonist Antagonist 5.4 pKi - 1-2
pKi 5.4 [1-2]
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 Antagonist 9.2 pKi - 1-2
pKi 9.2 [1-2]