agomelatine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | 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:

PropertyValueReference
fu (Fraction unbound in plasma) 0.07 % Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K
BA (Bioavailability) 5 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 48
kinase-selectivity-class AXL,BRAF,GRK2,PDK4 4
pfas-class PFAS structural alert (1 = True, 0 = False) 0

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
Intentional overdose 77.57 29.67 45 3036 93789 90531577
Serotonin syndrome 75.48 29.67 33 3048 37854 90587512
Extrapyramidal disorder 63.33 29.67 23 3058 16280 90609086
Suicidal ideation 59.90 29.67 35 3046 73820 90551546
Intentional self-injury 56.63 29.67 25 3056 29309 90596057
Drug interaction 55.51 29.67 57 3024 276396 90348970
Suicide attempt 54.04 29.67 33 3048 75366 90550000
Lipoedema 50.71 29.67 9 3072 340 90625026
Selective eating disorder 49.86 29.67 12 3069 2041 90623325
Completed suicide 48.86 29.67 40 3041 145018 90480348
Toxicity to various agents 44.93 29.67 52 3029 287794 90337572
Serum serotonin increased 40.84 29.67 7 3074 215 90625151
Fistula discharge 40.61 29.67 9 3072 1066 90624300
Salivary hypersecretion 39.72 29.67 14 3067 9078 90616288
Spinal cord disorder 37.24 29.67 9 3072 1556 90623810
Tracheal injury 35.58 29.67 6 3075 167 90625199
Accelerated hypertension 35.40 29.67 7 3074 477 90624889
Hyponatraemia 35.15 29.67 32 3049 133506 90491860
Bladder spasm 34.92 29.67 9 3072 2021 90623345
Clonus 33.55 29.67 11 3070 5739 90619627
Spinal pain 32.24 29.67 14 3067 15753 90609613
Urinary tract infection enterococcal 31.39 29.67 9 3072 3007 90622359
Urinary incontinence 30.95 29.67 18 3063 37548 90587818
Overdose 30.65 29.67 32 3049 157677 90467689
Psychiatric decompensation 30.45 29.67 8 3073 1935 90623431
Lividity 30.42 29.67 6 3075 403 90624963
Sleep deficit 30.36 29.67 7 3074 989 90624377
Enuresis 30.29 29.67 9 3072 3405 90621961
Myelopathy 30.21 29.67 9 3072 3435 90621931
Endometrial cancer 29.79 29.67 9 3072 3603 90621763
Bradycardia neonatal 29.72 29.67 7 3074 1086 90624280

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
Hyperaesthesia 56.36 36.92 17 1640 5935 42613743
Anorgasmia 55.33 36.92 12 1645 1125 42618553
Tachycardia 50.23 36.92 37 1620 101050 42518628
Drug interaction 37.88 36.92 49 1608 266950 42352728
Reflux nephropathy 37.54 36.92 5 1652 21 42619657

FDA Adverse Event Reporting System (Geriatric)

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 101.95 29.07 118 4807 500065 110084309
Tachycardia 81.93 29.07 73 4852 226572 110357802
Intentional overdose 71.69 29.07 54 4871 132447 110451927
Suicide attempt 66.97 29.07 47 4878 103347 110481027
Amaurosis fugax 64.34 29.07 16 4909 2374 110582000
Serotonin syndrome 63.52 29.07 37 4888 59116 110525258
Anorgasmia 54.41 29.07 13 4912 1633 110582741
Ocular discomfort 48.02 29.07 17 4908 8516 110575858
Somnolence 47.18 29.07 62 4863 297387 110286987
Urinary tract disorder 46.09 29.07 15 4910 5829 110578545
Head discomfort 44.14 29.07 20 4905 18980 110565394
Drug level increased 43.82 29.07 27 4898 47692 110536682
Intentional self-injury 39.08 29.07 23 4902 37406 110546968
Hyperaesthesia 39.02 29.07 17 4908 14710 110569664
Hyponatraemia 38.63 29.07 48 4877 217605 110366769
Haemorrhagic stroke 36.80 29.07 16 4909 13773 110570601
Extrapyramidal disorder 36.21 29.07 20 4905 28847 110555527
Suicidal ideation 35.35 29.07 31 4894 93906 110490468
Serum serotonin increased 35.16 29.07 7 4918 375 110583999
Anhedonia 35.08 29.07 16 4909 15412 110568962
Tracheal injury 32.07 29.07 6 4919 231 110584143
Lipoedema 31.78 29.07 6 4919 243 110584131
Asthenia 30.56 29.07 83 4842 688916 109895458
Drug ineffective 29.94 29.07 140 4785 1520400 109063974

FDA Adverse Event Reporting System (Pediatric)

None

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
CHEBI has role CHEBI:35469 antidepressant
CHEBI has role CHEBI:35474 anxiolytic drug
CHEBI has role CHEBI:35476 antipsychotic agent

Related Drugs by ATC class:

N06AX Other antidepressants 28 drugs

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Major depressive disorder indication 370143000




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

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
CHEMBL10878 ChEMBL_ID
DB06594 DRUGBANK_ID
C084711 MESH_SUPPLEMENTAL_RECORD_UI
82148 PUBCHEM_CID
198 IUPHAR_LIGAND_ID
7392 INN_ID
137R1N49AD UNII
AWY PDB_CHEM_ID
013126 NDDF
698012009 SNOMEDCT_US
702952002 SNOMEDCT_US
137R1N49AD INXIGHT DRUGS

Pharmaceutical products:

None