difluoroagomelatine

Ligand id: 7776

Name: difluoroagomelatine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 38.33
Molecular weight 279.11
XLogP 4.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MT1 receptor Agonist Full agonist 10.5 pKi - 1
pKi 10.5 (Ki 3x10-11 M) [1]