Ligand id: 8374

Name: EMA401

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 76.07
Molecular weight 507.2
XLogP 9.83
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

Bioactivity Comments
IC50 for EMA401 at the human AT1R could not be calculated. Fold-selectivity of EMA401 for AT2R is >10000 [8].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
AT2 receptor Hs Antagonist Antagonist 8.5 – 9.3 pIC50 - 2,5,8
pIC50 8.5 – 9.3 [2,5,8]