Ligand id: 3479

Name: [3H]S0139    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 172.96
Molecular weight 727.37
XLogP 6.54
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
ETA receptor Hs Antagonist Antagonist 9.2 pKd -
pKd 9.2 (Kd 6x10-10 M)