Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMJB1KL)

• Drug Name: 3-[2-(N,N,N-trimethylammonium)ethoxy]pyridine Drug Info
• Synonyms: CHEMBL345732; BDBM50135703; 3-[2-(Trimethylaminio)ethoxy]pyridine; Trimethyl-[2-(pyridin-3-yloxy)-ethyl]-ammonium

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 9794401
  TTD Drug ID: DMJB1KL

Molecule-Related Drug Atlas

Drug(s) Targeting Neuronal acetylcholine receptor alpha-4 (CHRNA4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Trimethaphan	DMHF4IQ	Aneurysm	BD51.Z	Approved	[2]
Pentolinium	DM38VYQ	Hypotension	BA20-BA21	Approved	[3]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[4]
ABT-594	DMGMBCW	N. A.	N. A.	Discontinued in Phase 2	[5]
ABT-418	DMNP72I	Alzheimer disease	8A20	Discontinued in Phase 2	[6]
HOMOEPIBATIDINE	DMHP9WV	N. A.	N. A.	Terminated	[4]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[7]
Barbituric acid derivative	DM2I19P	Discovery agent	N.A.	Investigative	[8]
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol	DMDUGZS	Discovery agent	N.A.	Investigative	[9]
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol	DMDUI8R	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Neuronal acetylcholine receptor beta-2 (CHRNB2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[4]
TC-5214	DM8AM60	Palmar hyperhidrosis	EE00.00	Phase 2	[10]
SUVN-911	DMLPBVF	Major depressive disorder	6A70.3	Phase 1	[11]
AZD-9684	DMHA5ME	Thrombosis	DB61-GB90	Discontinued in Phase 2	[12]
ABT-594	DMGMBCW	N. A.	N. A.	Discontinued in Phase 2	[5]
ABT-418	DMNP72I	Alzheimer disease	8A20	Discontinued in Phase 2	[13]
HOMOEPIBATIDINE	DMHP9WV	N. A.	N. A.	Terminated	[4]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[7]
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol	DMDUGZS	Discovery agent	N.A.	Investigative	[9]
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol	DMDUI8R	Discovery agent	N.A.	Investigative	[9]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-4 (CHRNA4)	TT4H1MQ	ACHA4_HUMAN	Inhibitor	[1]
Neuronal acetylcholine receptor beta-2 (CHRNB2)	TT5KPZR	ACHB2_HUMAN	Inhibitor	[1]

References

• [1] Aryloxyethylamines: binding at alpha7 nicotinic acetylcholine receptors. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4283-6.
• [2] Mechanism of long-lasting block of ganglion nicotinic receptors by mono-ammonium compounds with long aliphatic chain. J Auton Nerv Syst. 1994 Aug;48(3):231-40.
• [3] Nicotinic and nonnicotinic receptor-mediated actions of vinblastine. Proc Soc Exp Biol Med. 1993 Jul;203(3):372-6.
• [4] Epibatidine isomers and analogues: structure-activity relationships. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5493-7.
• [5] The nicotinic acetylcholine receptor agonist ABT-594 increases FGF-2 expression in various rat brain regions. Neuroreport. 1999 Dec 16;10(18):3909-13.
• [6] (S)-3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole (ABT 418): a novel cholinergic ligand with cognition-enhancing and anxiolytic activities: II. In vivo characterization. J Pharmacol Exp Ther. 1994 Jul;270(1):319-28.
• [7] Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.
• [8] Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.
• [9] Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. J Med Chem. 2010 Jun 24;53(12):4731-48.
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [12] Blockade and activation of the human neuronal nicotinic acetylcholine receptors by atracurium and laudanosine. Anesthesiology. 2001 Apr;94(4):643-51.
• [13] Nicotine, brain nicotinic receptors, and neuropsychiatric disorders. Arch Med Res. 2000 Mar-Apr;31(2):131-44.