agomelatine Indications/Contra | FAERs | Orange Book | BioActivity |

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

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 124.54 64.76 32 314 21734 4616912
Suicide attempt 106.29 64.76 28 318 20814 4617832
Foetal exposure during pregnancy 93.99 64.76 26 320 23143 4615503
Toxicity to various agents 83.05 64.76 31 315 72009 4566637
Coma 77.13 64.76 21 325 17498 4621148
Colitis ulcerative 72.01 64.76 16 330 5744 4632902
Hyponatraemia 69.97 64.76 21 325 24709 4613937
Laryngeal cleft 69.42 64.76 7 339 4 4638642

Pharmacologic Action:

SourceCodeDescription
ATC N06AX22 NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Other antidepressants

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Major depressive disorder indication 370143000

Acid dissociation constants calculated using MoKa v3.0.0

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:

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 ANTAGONIST Ki 5.40 IUPHAR
5-hydroxytryptamine receptor 2B GPCR ANTAGONIST Ki 6.60 IUPHAR
Melatonin receptor GPCR Ki 9.28 CHEMBL

External reference:

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

Pharmaceutical products:

None