EPJ

EPIBATIDINE

Created:	2003-08-06
Last modified:	2021-03-01

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14 entries where EPJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	3
Bond Count	29
Aromatic Bond Count	6

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Chemical Component Summary
Name	EPIBATIDINE
Synonyms	(2R)-2-(6-CHLOROPYRIDIN-3-YL)-7-AZABICYCLO[2.2.1]HEPTANE
Systematic Name (OpenEye OEToolkits)	(1S,4R,5R)-5-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
Formula	C₁₁ H₁₃ Cl N₂
Molecular Weight	208.687
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ncc(cc1)C3CC2NC3CC2
SMILES	CACTVS	3.341	Clc1ccc(cn1)[CH]2C[CH]3CC[CH]2N3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ncc1C2CC3CCC2N3)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc(cn1)[C@H]2C[C@@H]3CC[C@H]2N3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl
InChI	InChI	1.03	InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
InChIKey	InChI	1.03	NLPRAJRHRHZCQQ-IVZWLZJFSA-N

Drug Info: DrugBank

DrugBank ID	DB07720
Name	Epibatidine
Groups	experimental
Synonyms	Epibatidine (1R,2R,4S)-epibatidine (+)-epibatidine
Categories	Analgesics Analgesics, Non-Narcotic Central Nervous System Agents Cholinergic Agents Cholinergic Agonists Neurotransmitter Agents Nicotinic Agonists Peripheral Nervous System Agents Sensory System Agents
CAS number	140111-52-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
CHRNA7-FAM7A fusion protein	MQKYCIYQHFQFQLLIQHLWIAANCDIADERFDATFHTNVLVNSSGHCQY...	unknown
Neuronal acetylcholine receptor subunit alpha-7	MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQP...	unknown
Neuronal acetylcholine receptor subunit beta-2	MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPAT...	unknown
Neuronal acetylcholine receptor subunit alpha-2	MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALP...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-3	MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEII...	unknown	agonist
Neuronal acetylcholine receptor subunit alpha-4	MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNK...	unknown	agonist
Neuronal acetylcholine receptor subunit beta-4	MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSS...	unknown	agonist
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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