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

References
1. Audinot V, Mailliet F, Lahaye-Brasseur C, Bonnaud A, Le Gall A, Amossé C, Dromaint S, Rodriguez M, Nagel N, Galizzi JP, Malpaux B, Guillaumet G, Lesieur D, Lefoulon F, Renard P, Delagrange P, Boutin JA. (2003)
New selective ligands of human cloned melatonin MT1 and MT2 receptors.
Naunyn Schmiedebergs Arch Pharmacol367: 553-561. [PMID:12764576]
2. Beresford IJ, Browning C, Starkey SJ, Brown J, Foord SM, Coughlan J, North PC, Dubocovich ML, Hagan RM. (1998)
GR196429: a nonindolic agonist at high-affinity melatonin receptors.
J Pharmacol Exp Ther285: 1239-1245. [PMID:9618428]
3. Guardiola-Lemaitre B, Bodinat C, Delagrange P, Millan MJ, Munoz C, Mocaër E. (2014)
Agomelatine: Mechanism of action and pharmacological profile in relation to antidepressant properties.
Br. J. Pharmacol.,  [Epub ahead of print]. [PMID:24724693]
4. Millan MJ, Gobert A, Lejeune F, Dekeyne A, Newman-Tancredi A, Pasteau V, Rivet JM, Cussac D. (2003)
The novel melatonin agonist agomelatine (S20098) is an antagonist at 5-hydroxytryptamine2C receptors, blockade of which enhances the activity of frontocortical dopaminergic and adrenergic pathways.
J Pharmacol Exp Ther306: 954-964. [PMID:12750432]