agomelatine

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Ligands
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

IUPAC Name

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

International Nonproprietary Names
INN number	INN
7392	agomelatine

Synonyms
S20098
Thymanax®
Valdoxan®

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-HT_2C receptors.

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-HT_2C receptors.