Ligand id: 3942

Name: [125I]EXP985    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 121.61
Molecular weight 667.1
XLogP 8.2
No. Lipinski's rules broken 1

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 Value Parameter Concentration range (M) Reference
AT1 receptor Rn Antagonist Antagonist 8.8 pKd - 1
pKd 8.8 (Kd 1.49x10-9 M) [1]