agomelatine Indications/Contra | FAERs-F | FAERs-M | Orange Bk | 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

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
Feb. 19, 2009 EMA Les Laboratoires Servier

FDA Adverse Event Reporting System (Female)

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
Drug interaction 55.13 30.33 60 2516 219269 53127221
Intentional overdose 51.68 30.33 35 2541 67170 53279320
Lipoedema 51.30 30.33 9 2567 221 53346269
Extrapyramidal disorder 47.35 30.33 19 2557 12383 53334107
Selective eating disorder 46.25 30.33 12 2564 1946 53344544
Hyponatraemia 40.73 30.33 37 2539 108570 53237920
Bladder spasm 39.11 30.33 10 2566 1529 53344961
Salivary hypersecretion 38.62 30.33 14 2562 6929 53339561
Type 2 diabetes mellitus 38.27 30.33 22 2554 31648 53314842
Fistula discharge 38.15 30.33 9 2567 987 53345503
Suicide attempt 37.03 30.33 27 2549 58141 53288349
Suicidal ideation 36.07 30.33 27 2549 60484 53286006
Spinal cord disorder 35.84 30.33 9 2567 1281 53345209
Accelerated hypertension 33.49 30.33 7 2569 441 53346049
Sleep deficit 33.21 30.33 7 2569 459 53346031
Serum serotonin increased 32.52 30.33 6 2570 197 53346293
Spinal pain 31.68 30.33 14 2562 11566 53334924
Depression 30.95 30.33 41 2535 183011 53163479

FDA Adverse Event Reporting System (Male)

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
Laryngeal cleft 48.20 40.50 6 1162 14 32512344

Pharmacologic Action:

SourceCodeDescription
ATC N06AX22 NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Other antidepressants
MeSH PA D002491 Central Nervous System Agents
MeSH PA D002492 Central Nervous System Depressants
MeSH PA D006993 Hypnotics and Sedatives

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
5-hydroxytryptamine receptor 2A GPCR ANTAGONIST Ki 5.40 IUPHAR
5-hydroxytryptamine receptor 2B GPCR ANTAGONIST Ki 6.60 IUPHAR
Melatonin receptor GPCR Ki 10 CHEMBL
Melatonin receptor GPCR Ki 9.28 CHEMBL

External reference:

IDSource
D02578 KEGG_DRUG
C0971637 UMLSCUI
CHEBI:134990 CHEBI
AWY PDB_CHEM_ID
CHEMBL10878 ChEMBL_ID
DB06594 DRUGBANK_ID
82148 PUBCHEM_CID
7392 INN_ID
C084711 MESH_SUPPLEMENTAL_RECORD_UI
198 IUPHAR_LIGAND_ID
137R1N49AD UNII
013126 NDDF
698012009 SNOMEDCT_US
702952002 SNOMEDCT_US

Pharmaceutical products:

None