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

Stem definition	Drug id	CAS RN
	1920	54-11-5

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: nicotine L-Nicotine (S)-Nicotine (-)-Nicotine nicotine bitartrate anhydrous nicotine polacrilex	Devices or delivery systems used to aid in ending a TOBACCO habit. Molecular weight: 162.24 Formula: C10H14N2 CLOGP: 0.88 LIPINSKI: 0 HAC: 2 HDO: 0 TPSA: 16.13 ALOGS: -0.24 ROTB: 1 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

nicotine
L-Nicotine
(S)-Nicotine
(-)-Nicotine
nicotine bitartrate anhydrous
nicotine polacrilex

Devices or delivery systems used to aid in ending a TOBACCO habit.

Molecular weight: 162.24
Formula: C10H14N2
CLOGP: 0.88
LIPINSKI: 0
HAC: 2
HDO: 0
TPSA: 16.13
ALOGS: -0.24
ROTB: 1

Status: OFP

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

Drug dosage:

Dose	Unit	Route
30	mg	Chewing gum
60	mg	Inhal
30	mg	N
30	mg	SL
14	mg	TD

ADMET properties:

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Property	Value	Reference
BA (Bioavailability)	30 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
MRTD (Maximum Recommended Therapeutic Daily Dose)	3.52 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution)	2.60 L/kg	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	2 hours	Lombardo F, Berellini G, Obach RS
CL (Clearance)	18 mL/min/kg	Lombardo F, Berellini G, Obach RS
EoM (Fraction excreted unchanged in urine)	16.70 %	Benet LZ, Broccatelli F, Oprea TI
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
fu (Fraction unbound in plasma)	0.95 %	Lombardo F, Berellini G, Obach RS

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Approvals:

Date	Agency	Company	Orphan
Nov. 7, 1991	FDA	SANOFI AVENTIS US

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
Macular degeneration	819.37	13.90	296	18080	24080	63446566
Nicotine dependence	580.56	13.90	110	18266	607	63470039
Drug withdrawal syndrome neonatal	287.59	13.90	75	18301	2006	63468640
Drug dependence	244.12	13.90	126	18250	24357	63446289
Foetal exposure during pregnancy	202.27	13.90	122	18254	31840	63438806
Incorrect product administration duration	196.84	13.90	86	18290	11460	63459186
Premature delivery	195.29	13.90	117	18259	30164	63440482
Product adhesion issue	191.42	13.90	66	18310	4653	63465993
Overdose	169.59	13.90	187	18189	114891	63355755
Chronic sinusitis	163.28	13.90	78	18298	12765	63457881

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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
Nicotine dependence	366.90	13.42	77	13662	541	34942651
Drug withdrawal syndrome neonatal	331.33	13.42	101	13638	3518	34939674
Drug dependence	273.86	13.42	150	13589	24067	34919125
Incorrect product administration duration	225.47	13.42	81	13658	4730	34938462
Foetal exposure during pregnancy	208.97	13.42	149	13590	37952	34905240
Intentional product misuse	147.94	13.42	131	13608	45480	34897712
Overdose	145.69	13.42	179	13560	90880	34852312
Accidental overdose	129.69	13.42	87	13652	20053	34923139
Product adhesion issue	118.54	13.42	38	13701	1562	34941630
Premature baby	105.73	13.42	76	13663	19557	34923635

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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
Nicotine dependence	587.33	12.74	118	24988	837	79718445
Drug dependence	462.06	12.74	235	24871	40534	79678748
Incorrect product administration duration	333.85	12.74	130	24976	11892	79707390
Overdose	258.84	12.74	304	24802	183902	79535380
Accidental overdose	209.03	12.74	139	24967	39442	79679840
Macular degeneration	157.32	12.74	75	25031	11221	79708061
Chronic sinusitis	150.09	12.74	76	25030	12950	79706332
Intentional product misuse	138.34	12.74	160	24946	95005	79624277
Paraesthesia oral	130.58	12.74	81	25025	20390	79698892
Procedural pain	112.11	12.74	77	25029	23007	79696275

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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Source	Code	Description
ATC	N07BA01	NERVOUS SYSTEM OTHER NERVOUS SYSTEM DRUGS DRUGS USED IN ADDICTIVE DISORDERS Drugs used in nicotine dependence
CHEBI has role	CHEBI:22917	botanical insecticides
CHEBI has role	CHEBI:35471	psychotropic drugs
CHEBI has role	CHEBI:35474	anti-anxiety agents
CHEBI has role	CHEBI:35703	Xenobiotic
CHEBI has role	CHEBI:47958	muscarinic agonists
CHEBI has role	CHEBI:49110	peripheral nervous system drugs
CHEBI has role	CHEBI:50846	Immunologic factor
CHEBI has role	CHEBI:50905	teratogeno
CHEBI has role	CHEBI:50910	agente neurotoxico

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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
Nicotine dependence	indication	56294008	DOID:0050742
Smoking cessation assistance	indication	384742004
Pellagra	indication	418186002	DOID:8457
Niacin deficiency	indication	418279001
Nicotine Withdrawal Symptoms	indication
Hyperlipidemia	off-label use	55822004	DOID:1168
Hypophosphatemia	contraindication	4996001
Alcoholism	contraindication	7200002
Peptic ulcer	contraindication	13200003	DOID:750
Esophagitis	contraindication	16761005	DOID:11963

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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	9.05	Basic
pKa2	3.14	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
Neuronal acetylcholine receptor; alpha4/beta2	Ion channel	P17787 P43681	ACHB2_HUMAN ACHA4_HUMAN	AGONIST	Ki	8.56	WOMBAT-PK	CHEMBL
Potassium voltage-gated channel subfamily D member 3	Ion channel	Q9UK17	KCND3_HUMAN		IC50	7.40	WOMBAT-PK
Cytochrome P450 2A6	Enzyme	P11509	CP2A6_HUMAN		IC50	5.36	WOMBAT-PK
Transient receptor potential cation channel subfamily A member 1	Ion channel	O75762	TRPA1_HUMAN	ACTIVATOR	EC50	4.80	IUPHAR
Neuronal acetylcholine receptor; alpha2/beta4	Ion channel	P30926 Q15822	ACHB4_HUMAN ACHA2_HUMAN		Ki	7.15	CHEMBL
Neuronal acetylcholine receptor; alpha2/beta2	Ion channel	P17787 Q15822	ACHB2_HUMAN ACHA2_HUMAN		Ki	8.26	CHEMBL
Neuronal acetylcholine receptor; alpha3/beta4	Ion channel	P30926 P32297	ACHB4_HUMAN ACHA3_HUMAN		Ki	5.95	WOMBAT-PK
Neuronal acetylcholine receptor; alpha3/beta2	Ion channel	P17787 P32297	ACHB2_HUMAN ACHA3_HUMAN		Ki	7.85	WOMBAT-PK
Neuronal acetylcholine receptor; alpha4/beta4	Ion channel	P30926 P43681	ACHB4_HUMAN ACHA4_HUMAN		Ki	7.64	CHEMBL
Serotonin 3 (5-HT3) receptor	Ion channel	A5X5Y0 O95264 P46098 Q70Z44 Q8WXA8	5HT3E_HUMAN 5HT3B_HUMAN 5HT3A_HUMAN 5HT3D_HUMAN 5HT3C_HUMAN		Ki	4.15	CHEMBL

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External reference:

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ID	Source
001770	NDDF
003575	NDDF
11529	MMSL
1306106	RXNORM
2585	IUPHAR_LIGAND_ID
323283001	SNOMEDCT_US
4018610	VANDF
4020286	VUID
4020286	VANDF
5173	MMSL

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-0704	GUM, CHEWING	2 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-0713	GUM, CHEWING	4 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-0749	GUM, CHEWING	4 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-0761	GUM, CHEWING	2 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-7007	LOZENGE	4 mg	ORAL	ANDA	14 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-7008	LOZENGE	2 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-7029	GUM, CHEWING	2 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-7124	LOZENGE	2 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-7170	GUM, CHEWING	4 mg	ORAL	ANDA	15 sections
basic care nicotine	HUMAN OTC DRUG LABEL	1	0113-7190	LOZENGE	4 mg	ORAL	ANDA	15 sections

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