NCT

(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE

Created:	2003-04-21
Last modified:	2020-05-27

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20 entries where NCT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	6

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Chemical Component Summary
Name	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE
Synonyms	(S)-(-)-NICOTINE; 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE
Systematic Name (OpenEye OEToolkits)	3-[(1R,2S)-1-methylpyrrolidin-2-yl]pyridine
Formula	C₁₀ H₁₄ N₂
Molecular Weight	162.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(ccc1)C2N(C)CCC2
SMILES	CACTVS	3.341	CN1CCC[CH]1c2cccnc2
SMILES	OpenEye OEToolkits	1.5.0	CN1CCCC1c2cccnc2
Canonical SMILES	CACTVS	3.341	CN1CCC[C@H]1c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N@@]1CCC[C@H]1c2cccnc2
InChI	InChI	1.03	InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChIKey	InChI	1.03	SNICXCGAKADSCV-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB00184
Name	Nicotine
Groups	approved
Description	Nicotine is highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke.
Synonyms	(−)-nicotine Nicotine Nicotine polacrilex Nikotyna (S)-(−)-nicotine 3-(N-methylpyrollidino)pyridine Nikotin 3-(2-(N-methylpyrrolidinyl))pyridine (S)-Nicotine (S)-3-(N-methylpyrrolidin-2-yl)pyridine Nicotina Nicotine betadex Nicotine bitartrate (S)-3-(1-methylpyrrolidin-2-yl)pyridine L(−)-nicotine Nicotine bitartrate dihydrate
Brand Names	Basic Care nicotine Leader Nicotine Transdermal System Step 2 Tru Relief Nicotine Berkley and Jensen nicotine Habitrol Patch Nicotine Transdermal System, Step 3 in control Nicotine Nicoderm Trd 36mg Nicotine/7 Sqcm Patch Nicorelief Nicotine Polacrilex, Original Nicotine Sugar Free Rite Aid Nicotine Transdermal System Step 3 Mini Nicotine Nicorette Cinnamon Surge Nicotine Polacrilex Coated Fruit CareOne Nicotine Nicorette and Aquafresh Fruit Chill and Extreme Clean Whitening Rugby Nicotine Polacrilex Gum, Original Flavor Topcare Nicotine Up and Up nicotine CareOne Nicotine Transdermal System Step 2 Nicotine Transdermal Bjwc Nicotine Nicotine transdermal Sunmark Nicotine Transdermal System Step 2 Careone Nicotine Polacrilex Nicorette 4mg Cinnamon Surge Leader Nicotine Transdermal System Step 3 Health Mart Nicotine Nicorette Cinnamon Surge nicotine polacrilex Nicotine COATED ice mint CareOne nicotine Topcare nicotine Nictoine Gum Nicotine Transdermal System Step 3 Zonnic Healthy Accents Nicotine Nicotine Transdermal System Nicotine polacrilex Thrive Basic Care Nicotine Mini Safeway Nicotine Transdermal System Step 1 TopCare Nicotine Stop Smoking Aid Nicotine Good Sense Nicotine Nicotine transdermal system Nicorette Mint Nicorette Fresh Mint Rite Aid Nicotine Transdermal System Step 2 Sunmark Nicotine Transdermal System Step 3 Health Mart nicotine polacrilex Nicorette 4mg White Ice Mint Gum, Lil Drug Store Nicotine Polacrilex MINT Nicorette Fruit Chill nicotine polacrilex Nicorette Plus 4mg Nicotine Berkley and Jensen Nicotine Rugby Nicotine Polacrilex Gum, Coated Mint Flavor Care One Nicotine Nicotine Polacrilex Coated Ice Mint Sound Body Nicotine Topcare Nicotine Polacrilex Healthmart Nicotine Transdermal System Step 1 Equaline Nicotine Transdermal System Step 1 Habitrol Lozenge Cherry Nicorette Gum 2mg Zonnic Nicotine Polacrilex Nicorette NICOTINE Transdermal System Step 3 Nicotine Polacrilex coated cinnamon Nicotine Polacrilex, Coated Fruit Flavor Nicotine Polacrilex coated mint Stop Smoking Aid Topcare Nicotine Gum Nicotine Polacrilex coated ice mint Nicoderm Cq Nicotine Polacrilex Origianl Flavor Equate Nicotine Nicotine Polacrilex Gum Up and Up Mini Nicotine Preferred Plus Nicotine Signature Care Nicotine Nicotine Mint Flavor Medline Safeway Nicotine Transdermal System Step 2 Foster and Thrive Nicotine Nicorette Invisipatch Smart Sense Nicotine Mint Zonnic Nicotine Good Sense Nicotine Stop Smoking Aid Meijer NICOTINE TRANSDERMAL SYSTEM Step 3 Habitrol Step 1 Smart Sense Nicotine Equaline nicotine Nicotine Gum Rexall Nicotine Meijer NICOTINE TRANSDERMAL SYSTEM Step 1 Habitrol Nicotine Polacrilex Lozenge Mint Euqate Nicotine Kroger Nicotine Transdermal System Step 3 Nicotine Polacrilex Original Nicotine Resinate Rugby Nicotine Polacrilex Gum, Mint Flavor Nicotrol Smart Sense Nicotine Polacrilex Nicotine Polacrilex, Coated Mint Flavor Nicorette Fruit Chill equate Nicotine CareOne Mini Nicotine Polacrilex Lucy Nicotine Zonnic nicotine HEB Nicotine Habitrol Patch Nicotine Transdermal System, Step 2 Nicorette White Ice Mint Members Mark Mini Nicotine Nicotine Stop Smoking Aid Nicotine Mini CareOne Nicotine Transdermal System Step 3 Kirkland Signature Nicotine Basic Care Nicotine Equate nicotine In control nicotine Dg Health Nicotine Good Neighbor Pharmacy Nicotine Nicotine Polacrilex NICOTINE Original NICOTINE Transdermal System Step 1 Maxi Nicotine Good Sense Kirkland Signature Quit 4 Exchange Select Nicotine Transdermal System Step 3 Health Mart Nicotine Polacrilex CareOne Nicotine Transdermal System Step 1 Nicotine Polacrilex original Nicorette White Mint nicotine polacrilex Nicoderm Trd 114mg Nicotine/21 Nicotine mini Careone Nicotine Good Neighbor Pharmacy Nicotine Mini Lucy nicotine Nicorette Spearmint Burst Habitrol Patch Nicotine Transdermal System, Step 1 DG Health nicotine Preferred Plus Nicotine Polacrilex Gum, Original Flavor Nicorette 4mg Fruit Chill Gum, Lil Drug Store members mark Nicotine Blip Leader Nicotine Nicotine Coated Fruit Flavor Nicotine Polacrilex coated fruit Nicotine Transdermal System Step 1 Nicotine transdermal system step 1 Nicotine Coated Mint Nicotine Transdermal Patches Nicotrol (Professional Sample) Rugby Nicotine Polacrilex Gum, Coated Fruit Flavor Habitrol Step 3 Nicoderm Trd 78mg Nicotine/14 Equaline Nicotine Nicotine transdermal system step 3 Up and Up Nicotine Sunmark Nicotine Zonnic Nicotine Mini Up and Up Nicotine Polacrilex Nicotine Lozenge Family Wellness Nicotine Up and Up Cherry Nicotine Nicorette Original Up and Up Mini Nicotine Polacrilex Healthmart Nicotine Transdermal System Step 2 Commit Leader Nicotine Transdermal System Step 1 Members Mark Nicotine Nicotine transdermal system step 2 Rugby Nicotine Habitrol Lozenge Original Flavor Nicotine Polacrilex Stop Smoking Aid Simply Right Nicotine Nicotine UN1654 Meijer NICOTINE TRANSDERMAL SYSTEM STEP 2 Nicotine Polacrilex Coated Mint Safeway Nicotine Transdermal System Step 3 Sunmark Nicotine Transdermal System Step 1 Healthmart Nicotine Transdermal System Step 3 Nicotine Polacrilex Original Flavor Good Sense Nicotine Mint Kroger Nicotine Transdermal System Step 2 Harris Teeter Nicotine Nicotine Tartrate Nicotac Nicotine Polacrilex Coated Fruit Exchange Select Nicotine Nicotac Nicotine Polacrilex Coated Mint NICOTINE Transdermal System Step 2 Nicotac Nicotine Polacrilex Coated Cinnamon Humana Pharmacy Nicotine In Control Nicotine Nicotine Polacrilex Lozenge Mint Kroger Nicotine Transdermal System Step 1 Kirkland Signature Quit 2 Up and Up Cherry Ice Nicotine Nicotine Transdermal System Step 2 American Fare Nicotine Transdermal System Topcare nicotine stop smoking aid Habitrol Step 2 Berkley and Jensen NICOTINE Berkley and Jensen Nicotine Polacrilex Rite Aid Nicotine Transdermal System Step 1
Indication	For the relief of nicotine withdrawal symptoms and as an aid to smoking cessation.
Categories	Agents producing tachycardia Alkaloids Autonomic Agents Cholinergic Agents Cholinergic Agonists Cholinergic Nicotinic Agonist Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strength unknown) Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Inducers Cytochrome P-450 CYP2E1 Inducers (strength unknown) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs Used in Addictive Disorders Drugs Used in Nicotine Dependence Ganglion Blockers Ganglionic Stimulants Miscellaneous Autonomic Drugs Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Nervous System Neurotransmitter Agents Nicotine, antagonists & inhibitors Nicotinic Agonists OCT1 inhibitors OCT2 Inhibitors Peripheral Nervous System Agents Pyridines Smoking Cessation Agents Solanaceous Alkaloids
ATC-Code	N07BA01
CAS number	54-11-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuronal acetylcholine receptor subunit alpha-4	MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNK...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-7	MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQP...	unknown	agonist
Neuronal acetylcholine receptor subunit beta-2	MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPAT...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-2	MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALP...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-3	MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEII...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-5	MAARGSGPRALRLLLLVQLVAGRCGLAGAAGGAQRGLSEPSSIAKHEDSL...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-6	MLTSKGQGFLHGGLCLWLCVFTPFFKGCVGCATEERLFHKLFSHYNQFIR...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-9	MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVE...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-10	MGLRSHHLSLGLLLLFLLPAECLGAEGRLALKLFRDLFANYTSALRPVAD...	unknown	agonist
Neuronal acetylcholine receptor subunit beta-3	MLPDFMLVLIVLGIPSSATTGFNSIAENEDALLRHLFQGYQKWVRPVLHS...	unknown	agonist
Neuronal acetylcholine receptor subunit beta-4	MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSS...	unknown	agonist
Cytochrome P450 19A1	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown	inhibitor
Choline O-acetyltransferase	MGLRTAKKRGLGGGGKWKREEGGGTRGRREVRPACFLQSGGRGDPGDVGG...	unknown	inhibitor
Cytochrome P450 1A1	MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...	unknown	substrate,inducer
Cytochrome P450 1A2	MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPL...	unknown	substrate,inducer
Cytochrome P450 2C19	MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...	unknown	substrate
Cytochrome P450 2C8	MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI...	unknown	substrate
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate
Cytochrome P450 2D6	MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD...	unknown	substrate
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate
Amine oxidase [flavin-containing] A	MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGG...	unknown	inhibitor
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	unknown	inhibitor
Cytochrome P450 2A6	MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN...	unknown	substrate,inhibitor
Cytochrome P450 2E1	MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLEL...	unknown	substrate,inhibitor,inducer
Cytochrome P450 2A13	MLASGLLLVTLLACLTVMVLMSVWRQRKSRGKLPPGPTPLPFIGNYLQLN...	unknown	substrate
Cytochrome P450 2B6	MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRG...	unknown	substrate
Solute carrier family 22 member 2	MPTTVDDVLEHGGEFHFFQKQMFFLLALLSATFAPIYVGIVFLGFTPDHR...	unknown	inhibitor
Solute carrier family 22 member 1	MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHC...	unknown	inhibitor
Solute carrier family 22 member 3	MPSFDEALQRVGEFGRFQRRVFLLLCLTGVTFAFLFVGVVFLGTQPDHYW...	unknown	inhibitor
Solute carrier family 22 member 5	MRDYDEVTAFLGEWGPFQRLIFFLLSASIIPNGFTGLSSVFLIATPEHRC...	unknown	inhibitor
Solute carrier family 22 member 4	MRDYDEVIAFLGEWGPFQRLIFFLLSASIIPNGFNGMSVVFLAGTPEHRC...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682