agomelatine

Ligand id: 198

Name: agomelatine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 38.33
Molecular weight 243.13
XLogP 3.78
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 10.0 – 10.4 pKi - 1-2
pKi 10.0 – 10.4 [1-2]
MT2 receptor Agonist Full agonist 9.9 – 10.5 pKi - 1-2
pKi 9.9 – 10.5 [1-2]
5-HT2B receptor Antagonist Antagonist 6.6 pKi - 4
pKi 6.6 [4]
5-HT2C receptor Antagonist Antagonist 6.2 pKi - 4
pKi 6.2 [4]
5-HT2A receptor Antagonist Antagonist 5.4 pKi - 4
pKi 5.4 [4]
Ligand mentioned in the following text fields