Scroll

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

Stem definition	Drug id	CAS RN
	1672	73-31-4

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: melatonin melatol melatonine circadin	A biogenic amine that is found in animals and plants. In mammals, melatonin is produced by the PINEAL GLAND. Its secretion increases in darkness and decreases during exposure to light. Melatonin is implicated in the regulation of SLEEP, mood, and REPRODUCTION. Melatonin is also an effective antioxidant. Molecular weight: 232.28 Formula: C13H16N2O2 CLOGP: 1.03 LIPINSKI: 0 HAC: 4 HDO: 2 TPSA: 54.12 ALOGS: -3.21 ROTB: 4

Molecule

Description

Molfile Inchi Smiles

Synonyms:

melatonin
melatol
melatonine
circadin

A biogenic amine that is found in animals and plants. In mammals, melatonin is produced by the PINEAL GLAND. Its secretion increases in darkness and decreases during exposure to light. Melatonin is implicated in the regulation of SLEEP, mood, and REPRODUCTION. Melatonin is also an effective antioxidant.

Molecular weight: 232.28
Formula: C13H16N2O2
CLOGP: 1.03
LIPINSKI: 0
HAC: 4
HDO: 2
TPSA: 54.12
ALOGS: -3.21
ROTB: 4

Drug dosage:

Dose	Unit	Route
2	mg	O

ADMET properties:

Show entries

Search:

Property	Value	Reference
CL (Clearance)	16.50 mL/min/kg	Lombardo F, Berellini G, Obach RS
BA (Bioavailability)	12 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
S (Water solubility)	1.16 mg/mL	Bocci G, Oprea TI, Benet LZ
Vd (Volume of distribution)	1.10 L/kg	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	1.10 hours	Lombardo F, Berellini G, Obach RS
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
fu (Fraction unbound in plasma)	0.39 %	Lombardo F, Berellini G, Obach RS
MRTD (Maximum Recommended Therapeutic Daily Dose)	0.36 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Showing 1 to 8 of 8 entries

Previous1Next

Approvals:

Show entries

Search:

Date	Agency	Company
June 29, 2007	EMA	RAD NEURIM PHARMACEUTICALS EEC SARL
March 25, 2020	PMDA	Nobelpharma Co., Ltd
None	FDA

Showing 1 to 3 of 3 entries

Previous1Next

FDA Adverse Event Reporting System (Female)

Show entries

Search:

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
Intentional self-injury	549.13	10.45	302	47334	25385	63416001
Intentional overdose	420.41	10.45	387	47249	73765	63367621
Pneumonia aspiration	241.09	10.45	203	47433	34337	63407049
Somnolence	206.13	10.45	430	47206	178255	63263131
Coma	168.32	10.45	224	47412	64140	63377246
Gastrooesophageal reflux disease	152.05	10.45	264	47372	95375	63346011
Contraindicated product administered	141.14	10.45	5	47631	217643	63223743
Pemphigus	123.56	10.45	3	47633	183723	63257663
Synovitis	104.02	10.45	10	47626	186908	63254478
Hand deformity	98.90	10.45	5	47631	159452	63281934

Showing 1 to 10 of 202 entries

Previous1 2 3 4 5…21Next

FDA Adverse Event Reporting System (Male)

Show entries

Search:

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
Appendicolith	294.47	11.61	149	32500	8452	34915830
Appendicitis	243.45	11.61	159	32490	14648	34909634
Stress	170.42	11.61	174	32475	30173	34894109
Cardiogenic shock	164.91	11.61	161	32488	26457	34897825
Intentional self-injury	145.58	11.61	113	32536	13658	34910624
Abdominal distension	131.85	11.61	213	32436	58279	34866003
Congenital hiatus hernia	121.82	11.61	41	32608	803	34923479
Ventricular fibrillation	115.23	11.61	124	32525	22830	34901452
Blood phosphorus increased	115.01	11.61	78	32571	7643	34916639
Multiple organ dysfunction syndrome	100.21	11.61	221	32428	76345	34847937

Showing 1 to 10 of 156 entries

Previous1 2 3 4 5…16Next

FDA Adverse Event Reporting System (Geriatric)

Show entries

Search:

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
Intentional self-injury	465.94	10.39	307	66337	32112	79645632
Appendicolith	307.83	10.39	148	66496	8403	79669341
Intentional overdose	278.92	10.39	391	66253	105569	79572175
Somnolence	240.23	10.39	581	66063	238400	79439344
Appendicitis	217.18	10.39	162	66482	20632	79657112
Pneumonia aspiration	127.84	10.39	213	66431	66754	79610990
Cardiogenic shock	127.43	10.39	166	66478	41748	79635996
Gastrooesophageal reflux disease	127.34	10.39	274	66370	103972	79573772
Congenital hiatus hernia	123.18	10.39	40	66604	784	79676960
Ascites	116.68	10.39	219	66425	75343	79602401

Showing 1 to 10 of 281 entries

Previous1 2 3 4 5…29Next

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Show entries

Search:

Source	Code	Description
ATC	N05CH01	NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Melatonin receptor agonists
CHEBI has role	CHEBI:24621	hormones
CHEBI has role	CHEBI:35488	central nervous system depressants
CHEBI has role	CHEBI:35623	anticonvulsants
CHEBI has role	CHEBI:48578	free radical scavengers
CHEBI has role	CHEBI:50847	Immunologic adjuvant
CHEBI has role	CHEBI:75771	Mus musculus metabolites
CHEBI has role	CHEBI:77746	Homo sapiens metabolite
CHEBI has role	CHEBI:176497	geroprotectors
MeSH PA	D000975	Antioxidants

Showing 1 to 10 of 13 entries

Previous1 2Next

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

Show entries

Search:

Disease	Relation	SNOMED_ID	DOID
Disorders of initiating and maintaining sleep	indication	194437008
Alcoholism	contraindication	7200002
Psoriasis	contraindication	9014002	DOID:8893
Poisoning by digitalis glycoside	contraindication	12876009
Constipation	contraindication	14760008	DOID:2089
Sarcoidosis	contraindication	31541009	DOID:11335
Depressive disorder	contraindication	35489007
Systemic lupus erythematosus	contraindication	55464009	DOID:9074
Schizophrenia	contraindication	58214004	DOID:5419
Hepatic failure	contraindication	59927004

Showing 1 to 10 of 18 entries

Previous1 2Next

🐶 Veterinary Drug Use

Species	Use	Relation
Mustelids	Acceleration of the fur priming cycle	Indication

🐶 Veterinary products

Product	Applicant	Ingredients
PrimeX	Wildlife Laboratories Inc.	1

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	13.29	acidic
pKa2	13.99	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Show entries

Search:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Melatonin receptor type 1B	GPCR	P49286	MTR1B_HUMAN	AGONIST	EC50	9.70	WOMBAT-PK	IUPHAR
Melatonin receptor type 1A	GPCR	P48039	MTR1A_HUMAN	AGONIST	EC50	9.40	WOMBAT-PK	IUPHAR
Nuclear receptor ROR-alpha	Nuclear hormone receptor	P35398	RORA_HUMAN		EC50	9	WOMBAT-PK
Myeloperoxidase	Enzyme	P05164	PERM_HUMAN		IC50	5.52	CHEMBL
Histamine H3 receptor	GPCR	Q9Y5N1	HRH3_HUMAN		Ki	9.30	CHEMBL
Cytochrome P450 1B1	Enzyme	Q16678	CP1B1_HUMAN		Ki	4.85	CHEMBL
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN	ANTAGONIST	Ki	5.20	IUPHAR
Ribosyldihydronicotinamide dehydrogenase [quinone]	Enzyme	P16083	NQO2_HUMAN		Ki	7.56	CHEMBL
Melatonin receptor type 1B	GPCR		MTR1B_CHICK		Ki	9.15	CHEMBL
Melatonin receptor	GPCR		MTR1A_CHICK MTR1C_CHICK MTR1B_CHICK		Ki	9.75	CHEMBL

Showing 1 to 10 of 11 entries

Previous1 2Next

External reference:

Show entries

Search:

ID	Source
ML1	PDB_CHEM_ID
005039	NDDF
116523008	SNOMEDCT_US
224	IUPHAR_LIGAND_ID
4021324	VUID
4021324	VANDF
41199001	SNOMEDCT_US
5037	MMSL
5609	MMSL
6711	RXNORM

Showing 1 to 10 of 19 entries

Previous1 2Next

Pharmaceutical products:

None