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

General Information of Drug (ID: DMNP72I)

• Drug Name: ABT-418 Drug Info
• Synonyms: Abt-418; Abt 418; 147402-53-7; 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole; CHEMBL274525; (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole; (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole; C9H14N2O; Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)-; Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)-; Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]-; 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole; AC1L3OPH; SCHEMBL194161; DTXSID10163711; ILLGYRJAYAAAEW-QMMMGPOBSA-N; ZINC3786099; BDBM50035398

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 119380
  CAS Number: CAS 147402-53-7
  TTD Drug ID: DMNP72I

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	[5]
Pentolinium	DM38VYQ	Hypotension	BA20-BA21	Approved	[6]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[7]
ABT-594	DMGMBCW	N. A.	N. A.	Discontinued in Phase 2	[8]
HOMOEPIBATIDINE	DMHP9WV	N. A.	N. A.	Terminated	[7]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[9]
Barbituric acid derivative	DM2I19P	Discovery agent	N.A.	Investigative	[10]
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol	DMDUGZS	Discovery agent	N.A.	Investigative	[11]
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol	DMDUI8R	Discovery agent	N.A.	Investigative	[11]
BOLDINE	DMMVB5P	Discovery agent	N.A.	Investigative	[12]

Drug(s) Targeting Nicotinic acetylcholine receptor (nAChR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[13]
Cotinine	DMCEZ1B	Insecticide	N.A.	Approved	[14]
Pancuronium	DMB0VY8	Anaesthesia	9A78.6	Approved	[15]
Atracurium	DM42HXN	Anaesthesia	9A78.6	Approved	[15]
Mecamylamine	DMGQFYB	Essential hypertension	BA00	Approved	[16]
CYTISINE	DMUF0BJ	Tobacco dependence	6C4A.2	Phase 3	[17]
Dexefaroxan	DMTY4KN	Parkinson disease	8A00.0	Phase 2	[18]
BMS-954561	DM7XV4R	Diabetic neuropathy	8C0Z	Phase 2	[19]
ASM-024	DM35S2I	Asthma	CA23	Phase 2	[20]
NIC-002	DMKLJMI	Nicotine dependence	6C4A.2	Phase 2	[21]

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	[7]
TC-5214	DM8AM60	Palmar hyperhidrosis	EE00.00	Phase 2	[22]
SUVN-911	DMLPBVF	Major depressive disorder	6A70.3	Phase 1	[17]
AZD-9684	DMHA5ME	Thrombosis	DB61-GB90	Discontinued in Phase 2	[23]
ABT-594	DMGMBCW	N. A.	N. A.	Discontinued in Phase 2	[8]
HOMOEPIBATIDINE	DMHP9WV	N. A.	N. A.	Terminated	[7]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[9]
(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol	DMDUGZS	Discovery agent	N.A.	Investigative	[11]
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol	DMDUI8R	Discovery agent	N.A.	Investigative	[11]
BOLDINE	DMMVB5P	Discovery agent	N.A.	Investigative	[12]

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	Agonist	[2]
Neuronal acetylcholine receptor beta-2 (CHRNB2)	TT5KPZR	ACHB2_HUMAN	Agonist	[3]
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Agonist	[4]

References

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• [2] (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.
• [3] Nicotine, brain nicotinic receptors, and neuropsychiatric disorders. Arch Med Res. 2000 Mar-Apr;31(2):131-44.
• [4] Enhancement of sustained attention performance by the nicotinic acetylcholine receptor agonist ABT-418 in intact but not basal forebrain-lesioned rats. Psychopharmacology (Berl). 1999 May;144(2):175-82.
• [5] 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.
• [6] Nicotinic and nonnicotinic receptor-mediated actions of vinblastine. Proc Soc Exp Biol Med. 1993 Jul;203(3):372-6.
• [7] Epibatidine isomers and analogues: structure-activity relationships. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5493-7.
• [8] The nicotinic acetylcholine receptor agonist ABT-594 increases FGF-2 expression in various rat brain regions. Neuroreport. 1999 Dec 16;10(18):3909-13.
• [9] 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.
• [10] Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57.
• [11] 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.
• [12] Aporphine metho salts as neuronal nicotinic acetylcholine receptor blockers. Bioorg Med Chem. 2007 May 15;15(10):3368-72.
• [13] Atypical antipsychotics as noncompetitive inhibitors of alpha4beta2 and alpha7 neuronal nicotinic receptors. Neuropharmacology. 2009 Aug;57(2):183-91.
• [14] Functional versus chemical diversity: is biodiversity important for drug discovery. Trends Pharmacol Sci. 2002 May;23(5):225-31.
• [15] Pharmacological characteristics of the inhibition of nondepolarizing neuromuscular blocking agents at human adult muscle nicotinic acetylcholine receptor. Anesthesiology. 2009 Jun;110(6):1244-52.
• [16] Mecamylamine (Inversine): an old antihypertensive with new research directions. J Hum Hypertens. 2002 Jul;16(7):453-7.
• [17] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [18] The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
• [19] EP patent application no. 2774991, Drug delivery system for use in the treatment or diagnosis of neurological disorders.
• [20] Effects of ASM-024, a modulator of acetylcholine receptor function, on airway responsiveness and allergen-induced responses in patients with mild asthma. Can Respir J. 2015 Jul-Aug;22(4):230-4.
• [21] Therapeutic advances in the treatment of nicotine addiction: present and future. Ther Adv Chronic Dis. 2010 May; 1(3): 95-106.
• [22] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [23] Blockade and activation of the human neuronal nicotinic acetylcholine receptors by atracurium and laudanosine. Anesthesiology. 2001 Apr;94(4):643-51.