General
Preferred name
AGOMELATINE
Synonyms
S 20098 ()
S-20098 hydrochloride ()
Thymanax ()
S-20098 ()
Valdoxan ()
Agomelatine (hydrochloride) ()
Agomelatine (L(+)-Tartaric acid) ()
S-20098 L(+)-Tartaric acid ()
Valdoxan, Melitor, Thymanax,S20098 ()
Agomelatine L(+)-Tartaric acid ()
Agomelatine hydrochloride ()
Agomelatine (S20098) ()
Agomelatina ()
S20098 ()
Agomelatine-d6 ()
P&D ID
PD009296
CAS
138112-76-2
1176316-99-6
824393-18-2
1079389-42-6
Tags
available
drug
Approved by
EMA
First approval
2009
Drug indication
obsessive-compulsive disorder
Major depressive disorder
Drug Status
approved
investigational
withdrawn
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PHARMACODYNAMICS Agomelatine resynchronises circadian rhythms in animal models of delayed sleep phase syndrome and other circadian rhythm disruptions. It increases noradrenaline and dopamine release specifically in the frontal cortex and has no influence on the extracellular levels of serotonin. Agomelatine has shown an antidepressant-like effect in animal depression models, (learned helplessness test, despair test, and chronic mild stress) circadian rhythm desynchronisation, and in stress and anxiety models. In humans, agomelatine has positive phase shifting properties; it induces a phase advance of sleep, body temperature decline and melatonin onset. Controlled studies in humans have shown that agomelatine is as effective as the SSRI antidepressants paroxetine and sertraline in the treatment of major depression
INDICATION Agomelatine is indicated to treat major depressive episodes in adults.
DESCRIPTION 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. (GtoPdb)
DESCRIPTION Agomelatine (S-20098) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].
PRICE 47
DESCRIPTION Agomelatine hydrochloride (S-20098 hydrochloride) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine hydrochloride is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].
PRICE 33
DESCRIPTION Agomelatine L(+)-Tartaric acid (S-20098 L(+)-Tartaric acid) is a specific agonist of MT1 and MT2 receptors with Kis of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively[1]. Agomelatine L(+)-Tartaric acid is a selective 5-HT2C receptor antagonist with pKis of 6.4 and 6.2 at native (porcine) and cloned, human 5-HT2C receptors, respectively[2].
DESCRIPTION Agomelatine (Valdoxan) is structurally closely related to melatonin. Agomelatine is a potent agonist at melatonin receptors and an antagonist at serotonin-2C (5-HT2C) receptors, tested in an animal model of depression. (TargetMol Bioactive Compound Library)
DESCRIPTION The hydrochloride salt form of Agomelatine that is an antidepressant agent for acting as an antagonism of the 5-HT2C receptor. It is also an antagonist of 5-HT2B receptors. IC50: 6.2 and 6.6 for 5-HT2c and 5-HT2b respectively (pKi ). (BOC Sciences Bioactive Compounds)
DESCRIPTION Agomelatine hydrochloride (S-20098 hydrochloride) is a specific MT1 and MT2 receptor agonist with Ki values of 0.1 nM for CHO-hMT1, 0.06 nM for HEK-hMT1, 0.12 nM for CHO-hMT2, and 0.27 nM for HEK-hMT2, respectively [1]. Additionally, Agomelatine hydrochloride is a selective antagonist of the 5-HT2C receptor with pKi values of 6.4 and 6.2 for native (porcine) and cloned human 5-HT2C receptors, respectively [2]. (TargetMol Bioactive Compound Library)
DESCRIPTION Agomelatine L(+)-Tartaric acid is classified as a norepinephrine-dopamine disinhibitor (NDDI) due to its antagonism of the 5-HT2C receptor. It is used as an antidepressant drug. It has been approved by FDA in October 2011. It has toxicities, such as Hyperhidrosis, Abdominal pain, Nausea, Vomiting, Diarrhoea, Constipation, Back pain, Fatigue and so on. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
28
AdooQ Bioactive Compound Library
A10048
Axon Medchem Screening Library
1492
BOC Sciences Bioactive Compounds
agomelatine-hydrochloride-cas-1176316-99-6-item-474370
agomelatine-l-tartaric-acid-cas-824393-18-2-item-474856
Cayman Chemical Bioactives
13203
26447
ChEMBL Approved Drugs
CHEMBL10878
ChEMBL Drugs
CHEMBL10878
Concise Guide to Pharmacology 2017/18
198
Concise Guide to Pharmacology 2019/20
198
Concise Guide to Pharmacology 2021/22
198
Concise Guide to Pharmacology 2023/24
198
Drug Repurposing Hub
DrugBank
DB06594
DrugBank Approved Drugs
DB06594
DrugCentral
99
DrugCentral Approved Drugs
99
DrugMAP
DMXYA5K
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101180
Guide to Pharmacology
198
Ki Database
Agomelatine
S 20098
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL10878
MedChem Express Bioactive Compound Library
HY-17038
HY-17038A
HY-17038B
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
Agomelatine
TargetMol Bioactive Compound Library
T1445
T60523
The Spectrum Collection
Withdrawn 2.0
EMA1
External IDs
57
Properties
(calculated by RDKit )
Molecular Weight
243.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
2.53
TPSA
38.33
Fraction CSP3
0.27
Chiral centers
0.0
Largest ring
6.0
QED
0.9
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
MT1 receptor
MT2 receptor
5-HT
5-HT Receptor
Melatonin Receptor
HTR2A, HTR2B, HTR2C, MTNR1A, MTNR1B
Melatonin agonist
Endogenous Metabolite
Member status
member
MOA
melatonergic antidepressant
5-HT2C Antagonists
Melatonin MT1 Agonists
Melatonin MT2 Agonists
melatonin receptor agonist, serotonin receptor antagonist
Indication
depression
ATC
N06AX22
Pathway
Neuroscience
GPCR/G protein
Metabolic Enzyme/Protease
Neuronal Signaling
Solubility
DMSO 49 mg/mL
Water <1 mg/mL
Ethanol 49 mg/mL
Source data