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

Classification
Compound class Synthetic organic
Approved drug? Yes (source: EMA (2009))
IUPAC Name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
International Nonproprietary Names
INN number INN
7392 agomelatine
Synonyms
S20098
Thymanax®
Valdoxan®
Database Links
BindingDB Ligand 50035179
CAS Registry No. 138112-76-2 (source: Scifinder)
ChEMBL Ligand CHEMBL10878
DrugBank Ligand DB06594
PubChem CID 82148
Search Google for chemical match using the InChIKey YJYPHIXNFHFHND-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YJYPHIXNFHFHND
Search PubMed clinical trials agomelatine
Search PubMed titles agomelatine
Search PubMed titles/abstracts agomelatine
Wikipedia Agomelatine
Comments
Agomelatine is a melatonergic (i.e. it acts as a a melatonin receptor agonist) antidepressant, devoid of the side-effects caused by SSRI, SNRI and tricyclic antidepressants. The drug also has low affinity for 5-HT2C receptors.