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agomelatine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
	99	138112-76-2

Description:

Molecule	Description
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

Molecule

Description

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:

Dose	Unit	Route
25	mg	O

ADMET properties:

Property	Value	Reference
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

Approvals:

Date	Agency	Company	Orphan
Feb. 19, 2009	EMA	Les Laboratoires Servier

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Lipoedema	50.54	30.12	9	2567	289	63486157
Drug interaction	48.92	30.12	53	2523	229078	63257368
Selective eating disorder	47.64	30.12	12	2564	2060	63484386
Extrapyramidal disorder	45.75	30.12	18	2558	13266	63473180
Intentional overdose	44.47	30.12	31	2545	74121	63412325
Serum serotonin increased	40.17	30.12	7	2569	198	63486248
Salivary hypersecretion	39.64	30.12	14	2562	7652	63478794
Suicidal ideation	39.55	30.12	27	2549	62394	63424052
Fistula discharge	38.88	30.12	9	2567	1084	63485362
Spinal cord disorder	37.46	30.12	9	2567	1272	63485174
Intentional self-injury	37.26	30.12	19	2557	25668	63460778
Hyponatraemia	35.18	30.12	32	2544	111868	63374578
Accelerated hypertension	34.53	30.12	7	2569	452	63485994
Bladder spasm	34.48	30.12	9	2567	1779	63484667
Spinal pain	32.32	30.12	14	2562	13125	63473321
Sleep deficit	32.04	30.12	7	2569	649	63485797
Psychiatric decompensation	31.64	30.12	8	2568	1393	63485053
Urinary tract infection enterococcal	30.76	30.12	9	2567	2704	63483742
Urinary incontinence	30.67	30.12	18	2558	31996	63454450
Myelopathy	30.40	30.12	9	2567	2817	63483629

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Tachycardia	43.25	39.87	32	1379	84740	34870780

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Drug interaction	81.50	26.90	96	3454	415087	79325751
Intentional overdose	48.27	26.90	39	3511	105921	79634917
Tachycardia	44.86	26.90	47	3503	177721	79563117
Hyponatraemia	41.31	26.90	45	3505	177803	79563035
Suicide attempt	38.76	26.90	31	3519	82901	79657937
Anorgasmia	36.81	26.90	9	3541	1245	79739593
Serum serotonin increased	36.19	26.90	7	3543	323	79740515
Drug level increased	35.33	26.90	22	3528	39629	79701209
Sleep disorder	33.73	26.90	29	3521	85648	79655190
Lipoedema	32.47	26.90	6	3544	216	79740622
Extrapyramidal disorder	29.25	26.90	16	3534	22663	79718175
Acute stress disorder	28.32	26.90	6	3544	438	79740400
Drug ineffective	27.13	26.90	107	3443	1080806	78660032
Salivary hypersecretion	26.94	26.90	13	3537	14211	79726627

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
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 | Suggest Off label Use Form| |View source of the data|

Disease	Relation	SNOMED_ID	DOID
Major depressive disorder	indication	370143000

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	12.7	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
5-hydroxytryptamine receptor 2C	GPCR	P28335	5HT2C_HUMAN	ANTAGONIST	Ki	6.20	IUPHAR	DRUG LABEL
Melatonin receptor type 1A	GPCR	P48039	MTR1A_HUMAN	AGONIST	Ki	10.22	CHEMBL	DRUG LABEL
Melatonin receptor type 1B	GPCR	P49286	MTR1B_HUMAN	AGONIST	Ki	10	CHEMBL	DRUG LABEL
5-hydroxytryptamine receptor 2A	GPCR	P28223	5HT2A_HUMAN	ANTAGONIST	Ki	5.40	IUPHAR
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN	ANTAGONIST	Ki	6.60	IUPHAR
Melatonin receptor	GPCR	P48039 P49286	MTR1A_HUMAN MTR1B_HUMAN		Ki	10	CHEMBL
Melatonin receptor	GPCR		MTR1A_CHICK MTR1C_CHICK MTR1B_CHICK		Ki	9.28	CHEMBL

External reference:

ID	Source
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
698012009	SNOMEDCT_US
702952002	SNOMEDCT_US
AWY	PDB_CHEM_ID
013126	NDDF

Pharmaceutical products:

None