AS101

Ligand id: 437

Name: AS101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 137.4
Molecular weight 524.23
XLogP 1.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
A2B receptor Hs Antagonist Antagonist 8.4 pKi - 6
pKi 8.4 [6]
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Caspase 1 Hs Inhibitor Inhibition - - - 2
[2]