Ligand id: 6187

Name: E339-3D6

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 24
Hydrogen bond donors 10
Rotatable bonds 46
Topological polar surface area 448.44
Molecular weight 1746.68
XLogP 10.29
No. Lipinski's rules broken 4

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
apelin receptor Hs Agonist Agonist 6.4 pKi - 1
pKi 6.4 [1]