agomelatine indications/contra

Stem definitionDrug idCAS RN
99 138112-76-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • S20098
  • S-20098
  • agomelatine
  • valdoxan
  • thymanax
an antidepressant, it works by stimulating the MT1 and MT2 receptors, which are normally activated by melatonin, and also by blocking the 5-HT2C receptors, which are normally activated by the neurotransmitter 5-hydroxytryptamine
  • Molecular weight: 243.31
  • Formula: C15H17NO2
  • CLOGP: 2.11
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 38.33
  • ALOGS: -4.50
  • ROTB: 4

Drug dosage:

DoseUnitRoute
25 mg O

Approvals:

DateAgencyCompanyOrphan
Feb. 19, 2009 EMA Les Laboratoires Servier

FDA Adverse Event Reporting System

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MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Intentional overdose 78.00 52.61 20 214 15205 3370420
Laryngeal cleft 70.33 52.61 7 227 4 3385621
Meningomyelocele 65.40 52.61 9 225 220 3385405
Foetal exposure during pregnancy 63.09 52.61 17 217 15534 3370091
Retroplacental haematoma 58.57 52.61 7 227 52 3385573
Suicide attempt 58.08 52.61 16 218 15831 3369794
Haemangioma congenital 57.42 52.61 8 226 214 3385411
Hyperbilirubinaemia neonatal 57.18 52.61 8 226 221 3385404
Cerebral calcification 54.47 52.61 7 227 99 3385526
Congenital diaphragmatic hernia 53.04 52.61 7 227 123 3385502

Pharmacologic Action:

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SourceCodeDescription
ATC N06AX22 NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Other antidepressants

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Major depressive disorder indication 370143000

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.7 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
5-hydroxytryptamine receptor 2C GPCR ANTAGONIST Ki 6.20 IUPHAR DRUG LABEL
Melatonin receptor type 1A GPCR AGONIST Ki 10.22 CHEMBL DRUG LABEL
Melatonin receptor type 1B GPCR AGONIST Ki 10 CHEMBL DRUG LABEL
Melatonin receptor GPCR Ki 10 CHEMBL
5-hydroxytryptamine receptor 2A GPCR Ki 5.40 IUPHAR
5-hydroxytryptamine receptor 2B GPCR Ki 6.60 IUPHAR
Melatonin receptor GPCR Ki 9.28 CHEMBL

External reference:

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IDSource
198 IUPHAR_LIGAND_ID
D02578 KEGG_DRUG
CHEMBL10878 ChEMBL_ID
137R1N49AD UNII
7392 INN_ID
82148 PUBCHEM_CID
013126 NDDF
698012009 SNOMEDCT_US
702952002 SNOMEDCT_US
CHEBI:134990 CHEBI
C084711 MESH_SUPPLEMENTAL_RECORD_UI
DB06594 DRUGBANK_ID

Pharmaceutical products:

None