benzquinamide

Ligand id: 7124

Name: benzquinamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 68.31
Molecular weight 404.23
XLogP 1.73
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
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Target Type Action Affinity Units Concentration range (M) Reference
D2 receptor Agonist Agonist 5.4 pKi - 2
pKi 5.4 (Ki 3.964x10-6 M) [2]
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
COX-2 Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 4.8x10-9 M) [1]