Ligand id: 1002

Name: [125I]PD164333    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 159.08
Molecular weight 823.15
XLogP 6.46
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 Value Parameter Concentration range (M) Reference
ETA receptor Hs Antagonist Antagonist 9.6 – 9.8 pKd - 1
pKd 9.6 – 9.8 (Kd 2.5x10-10 – 1.58x10-10 M) [1]