AS99

Ligand id: 383

Name: AS99

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 125.45
Molecular weight 493.24
XLogP 3.71
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
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
A2B receptor Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 [1]
A1 receptor Antagonist Antagonist 6.1 pKi - 1
pKi 6.1 [1]