AS95

Ligand id: 441

Name: AS95

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 156.24
Molecular weight 508.19
XLogP 0.97
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
A2B receptor Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 [1]