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

Stem definition	Drug id	CAS RN
psychoactive	2337	111974-69-7

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: quetiapine quetiapine fumarate quetiapine hemifumarate ICI 204,636 seroquel	A dibenzothiazepine and ANTIPSYCHOTIC AGENT that targets the SEROTONIN 5-HT2 RECEPTOR; HISTAMINE H1 RECEPTOR, adrenergic alpha1 and alpha2 receptors, as well as the DOPAMINE D1 RECEPTOR and DOPAMINE D2 RECEPTOR. It is used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER and DEPRESSIVE DISORDER. Molecular weight: 383.51 Formula: C21H25N3O2S CLOGP: 2.99 LIPINSKI: 0 HAC: 5 HDO: 1 TPSA: 48.30 ALOGS: -3.98 ROTB: 5 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

quetiapine
quetiapine fumarate
quetiapine hemifumarate
ICI 204,636
seroquel

A dibenzothiazepine and ANTIPSYCHOTIC AGENT that targets the SEROTONIN 5-HT2 RECEPTOR; HISTAMINE H1 RECEPTOR, adrenergic alpha1 and alpha2 receptors, as well as the DOPAMINE D1 RECEPTOR and DOPAMINE D2 RECEPTOR. It is used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER and DEPRESSIVE DISORDER.

Molecular weight: 383.51
Formula: C21H25N3O2S
CLOGP: 2.99
LIPINSKI: 0
HAC: 5
HDO: 1
TPSA: 48.30
ALOGS: -3.98
ROTB: 5

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
0.40	g	O

ADMET properties:

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Property	Value	Reference
S (Water solubility)	94 mg/mL	Benet LZ, Broccatelli F, Oprea TI
BA (Bioavailability)	9 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
MRTD (Maximum Recommended Therapeutic Daily Dose)	34.68 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	0.50 %	Benet LZ, Broccatelli F, Oprea TI

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Approvals:

Date	Agency	Company	Orphan
Sept. 26, 1997	FDA	ASTRAZENECA

FDA Adverse Event Reporting System (Female)

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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
Completed suicide	3470.66	10.68	3471	237937	142202	63105412
Toxicity to various agents	3178.23	10.68	4285	237123	242965	63004649
Suicide attempt	2830.56	10.68	2128	239280	58790	63188824
Intentional overdose	2734.01	10.68	2260	239148	71892	63175722
Sopor	2698.34	10.68	1427	239981	20737	63226877
Drug abuse	2393.33	10.68	2074	239334	70444	63177170
Intentional self-injury	1486.42	10.68	1026	240382	24661	63222953
Overdose	1433.41	10.68	1968	239440	113110	63134504
Neuroleptic malignant syndrome	1423.89	10.68	761	240647	11295	63236319
Sedation	1122.46	10.68	1031	240377	37778	63209836

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FDA Adverse Event Reporting System (Male)

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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
Completed suicide	1805.55	11.62	2091	138026	96077	34720737
Neuroleptic malignant syndrome	1728.81	11.62	1008	139109	16926	34799888
Toxicity to various agents	1566.47	11.62	2841	137276	197521	34619293
Suicide attempt	1423.38	11.62	1210	138907	37906	34778908
Sopor	1243.53	11.62	710	139407	11426	34805388
Drug interaction	1210.01	11.62	2739	137378	223207	34593607
Intentional overdose	913.15	11.62	996	139121	42678	34774136
Drug abuse	833.96	11.62	1454	138663	97642	34719172
Overdose	805.39	11.62	1366	138751	89693	34727121
Psychotic disorder	803.24	11.62	714	139403	23738	34793076

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FDA Adverse Event Reporting System (Geriatric)

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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
Completed suicide	5234.98	10.67	5667	316214	240100	79182407
Toxicity to various agents	4245.90	10.67	6716	315165	414824	79007683
Sopor	3744.63	10.67	2069	319812	30941	79391566
Suicide attempt	3414.91	10.67	2764	319117	80168	79342339
Intentional overdose	2927.78	10.67	2816	319065	103144	79319363
Neuroleptic malignant syndrome	2817.86	10.67	1614	320267	25945	79396562
Drug abuse	2804.75	10.67	3367	318514	159324	79263183
Overdose	1965.87	10.67	3021	318860	181185	79241322
Drug interaction	1894.58	10.67	4755	317126	410428	79012079
Intentional self-injury	1712.85	10.67	1254	320627	31165	79391342

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FDA Adverse Event Reporting System (Pediatric)

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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
Tricuspid valve incompetence	32.67	25.26	21	2171	52	87548
Meconium aspiration syndrome	32.44	25.26	19	2173	37	87563
Hypertonia neonatal	31.07	25.26	39	2153	288	87312
Withdrawal syndrome	26.87	25.26	22	2170	89	87511

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Pharmacologic Action:

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Source	Code	Description
ATC	N05AH04	NERVOUS SYSTEM PSYCHOLEPTICS ANTIPSYCHOTICS Diazepines, oxazepines, thiazepines and oxepines
CHEBI has role	CHEBI:37887	adrenergic blockers
CHEBI has role	CHEBI:37956	antihistamines
CHEBI has role	CHEBI:48279	serotonin antagonists
CHEBI has role	CHEBI:48561	dopaminergic antagonists
CHEBI has role	CHEBI:65191	atypical antipsychotic agent
FDA EPC	N0000175430	Atypical Antipsychotic
MeSH PA	D000928	Antidepressive Agents
MeSH PA	D014150	Antipsychotic Agents
MeSH PA	D002491	Central Nervous System Agents

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

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Disease	Relation	SNOMED_ID	DOID
Bipolar disorder	indication	13746004	DOID:3312
Schizophrenia	indication	58214004	DOID:5419
Bipolar disorder in remission	indication	85248005
Bipolar affective disorder, current episode manic	indication	191618007
Bipolar affective disorder, current episode depression	indication	191627008	DOID:3312
Depression Treatment Adjunct	indication
Suicidal thoughts	contraindication	6471006
Weight gain finding	contraindication	8943002
Hypercholesterolemia	contraindication	13644009
Asthenia	contraindication	13791008

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🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	6.94	Basic
pKa2	3.9	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
D(2) dopamine receptor	GPCR	P14416	DRD2_HUMAN	ANTAGONIST	IC50	6.48	WOMBAT-PK	CHEMBL
5-hydroxytryptamine receptor 2A	GPCR	P28223	5HT2A_HUMAN	ANTAGONIST	IC50	7.13	WOMBAT-PK	CHEMBL
D(1A) dopamine receptor	GPCR	P21728	DRD1_HUMAN		Ki	6.41	CHEMBL
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN		Ki	5.44	PDSP
Sigma non-opioid intracellular receptor 1	Membrane receptor	Q99720	SGMR1_HUMAN		Ki	6.02	DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN		IC50	5.24	CHEMBL
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN	INHIBITOR	Ki	6.03	IUPHAR
5-hydroxytryptamine receptor 1A	GPCR	P08908	5HT1A_HUMAN		IC50	6.83	WOMBAT-PK
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN		IC50	6.52	WOMBAT-PK
5-hydroxytryptamine receptor 2C	GPCR	P28335	5HT2C_HUMAN	ANTAGONIST	IC50	7	WOMBAT-PK

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External reference:

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ID	Source
006939	NDDF
006940	NDDF
108383008	SNOMEDCT_US
108443001	SNOMEDCT_US
111974-72-2	SECONDARY_CAS_RN
11319	MMSL
187788	MMSL
221153	RXNORM
33804	MMSL
386850001	SNOMEDCT_US

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-2063	TABLET, FILM COATED	25 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-2063	TABLET, FILM COATED	25 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8162	TABLET, FILM COATED	100 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8162	TABLET, FILM COATED	100 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8163	TABLET, FILM COATED	200 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8163	TABLET, FILM COATED	200 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8164	TABLET, FILM COATED	300 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8164	TABLET, FILM COATED	300 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8165	TABLET, FILM COATED	400 mg	ORAL	ANDA	32 sections
Quetiapine	HUMAN PRESCRIPTION DRUG LABEL	1	0093-8165	TABLET, FILM COATED	400 mg	ORAL	ANDA	32 sections

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