chroman 28

Ligand id: 664

Name: chroman 28

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 96.12
Molecular weight 583.25
XLogP 8.05
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
B1 receptor Antagonist Antagonist 8.5 pIC50 - 1
pIC50 8.5 [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
B1 receptor Antagonist Antagonist 8.3 – 8.5 pIC50 - 1
pIC50 8.3 – 8.5 [1]