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

General Information of Drug (ID: DMB8OY6)

• Drug Name: 2-(4-Methyl-piperazin-1-yl)-quinoline Drug Info
• Synonyms: N-methylquipazine; 2-(4-methylpiperazin-1-yl)quinoline; UNII-0YV1ZIR6S0; 0YV1ZIR6S0; CHEMBL288591; CHEBI:64164; quinoline, 2-(4-methyl-1-piperazinyl)-; 2-(4-Methyl-piperazin-1-yl)-quinoline; Tocris-0566; Lopac-Q-107; Biomol-NT_000084; AC1L1JF3; Oprea1_654246; Lopac0_001000; SCHEMBL606721; BPBio1_001081; DTXSID8043731; CTK6I3065; HOMWNUXPSJQSSU-UHFFFAOYSA-N; MolPort-006-384-975; ZINC403653; 2-(4-Methylpiperazinyl)-quinoline; 1-(2-Quinolyl)-4-methylpiperazine; STK362919; BDBM50053631; AKOS005453926; MCULE-4786527390; CCG-205080

Indication

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

• Cross-matching ID:
  PubChem CID: 5013
  ChEBI ID: CHEBI:64164
  CAS Number: CAS 28614-26-8
  TTD Drug ID: DMB8OY6

Molecule-Related Drug Atlas

Drug(s) Targeting 5-HT 3B receptor (HTR3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[3]
SEROTONIN	DMOFCRY	Discovery agent	N.A.	Investigative	[2]
2-methyl-5-HT	DM1S5CB	N. A.	N. A.	Investigative	[4]
QUIPAZINE	DMPY6IG	Discovery agent	N.A.	Investigative	[2]
MESULERGINE	DMKGWAH	Discovery agent	N.A.	Investigative	[5]
bilobalide	DM09Z35	Discovery agent	N.A.	Investigative	[6]
BRL-24682	DMSB4EW	Discovery agent	N.A.	Investigative	[7]
6-(4-Methyl-piperazin-1-yl)-phenanthridine	DM1HAWR	Discovery agent	N.A.	Investigative	[2]
trichloroethanol	DMNALMF	Discovery agent	N.A.	Investigative	[8]
1-phenylbiguanide	DMA4XGL	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting 5-HT 3A receptor (HTR3A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dolasetron	DMMG26Z	Nausea	MD90	Approved	[10]
Alosetron	DML2A03	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[11]
Tropisetron	DMNSJ7V	Fibromyalgia	MG30.01	Approved	[12]
Palonosetron	DMBHMOX	Nausea	MD90	Approved	[13]
Levetiracetam	DMTGDN8	Epilepsy	8A60-8A68	Approved	[12]
Procaine	DM4LSNE	Anaesthesia	9A78.6	Approved	[14]
Cilansetron	DMP0NGX	Irritable bowel syndrome	DD91.0	Phase 3	[15]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[3]
Norcisapride	DMJSKUI	Gastroesophageal reflux disease	DA22.Z	Discontinued in Phase 2	[16]
YM-114	DML2IXO	Nausea	MD90	Discontinued in Phase 2	[17]

Drug(s) Targeting Histamine H3 receptor (H3R)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Pitolisant	DM8RFNJ	Excessive daytime sleepiness	MG42	Approved	[18]
SUVN-G3031	DM3BO8G	Cognitive impairment	6D71	Phase 3	[19]
JNJ-17216498	DM1GRCU	Narcolepsy	7A20	Phase 2	[20]
GSK239512	DMBJMZC	Alzheimer disease	8A20	Phase 2	[21]
JNJ-39220675	DM0WY3H	Alcohol dependence	6C40.2	Phase 2	[22]
AZD-5213	DMOZ04X	Alzheimer disease	8A20	Phase 2	[23]
Bavisant	DM6CVZ5	Attention deficit hyperactivity disorder	6A05.Z	Phase 2	[24]
ABT-288	DM7X54F	Alzheimer disease	8A20	Phase 2	[25]
SAR-110894	DMCLEXM	Alzheimer disease	8A20	Phase 2	[23]
ABT-652	DMLEO2Z	Diabetic neuropathy	8C0Z	Phase 2	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3A receptor (HTR3A)	TTPC4TU	5HT3A_HUMAN	Inhibitor	[2]
5-HT 3B receptor (HTR3B)	TTR6K75	5HT3B_HUMAN	Inhibitor	[2]
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_HUMAN	Inhibitor	[1]

References

• [1] 2-(4-alkylpiperazin-1-yl)quinolines as a new class of imidazole-free histamine H3 receptor antagonists. J Med Chem. 2005 Jan 13;48(1):306-11.
• [2] Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy ... J Med Chem. 1999 May 6;42(9):1556-75.
• [3] Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. J Med Chem. 1992 Jan 24;35(2):310-9.
• [4] The 5-HT3B subunit is a major determinant of serotonin-receptor function. Nature. 1999 Jan 28;397(6717):359-63.
• [5] Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. J Med Chem. 1997 Oct 24;40(22):3670-8.
• [6] Ginkgolide B and bilobalide block the pore of the 5-HT eceptor at a location that overlaps the picrotoxin binding site. Neuropharmacology. 2011 Feb-Mar;60(2-3):488-95.
• [7] Synthesis and structure-affinity relationships of novel N-(1-ethyl-4-methylhexahydro-1,4-diazepin-6-yl)pyridine-3-carboxamides with potent serotoni... J Med Chem. 2003 Feb 27;46(5):702-15.
• [8] Co-expression of the 5-HT(3B) subunit with the 5-HT(3A) receptor reduces alcohol sensitivity. Brain Res Mol Brain Res. 2005 Dec 14;142(2):146-50.
• [9] Pharmacological comparison of human homomeric 5-HT3A receptors versus heteromeric 5-HT3A/3B receptors. Neuropharmacology. 2001 Aug;41(2):282-4.
• [10] Palonosetron plus dexamethasone versus granisetron plus dexamethasone for prevention of nausea and vomiting during chemotherapy: a double-blind, do... Lancet Oncol. 2009 Feb;10(2):115-24.
• [11] Efficacy of 5-HT3 antagonists and 5-HT4 agonists in irritable bowel syndrome: systematic review and meta-analysis. Am J Gastroenterol. 2009 Jul;104(7):1831-43; quiz 1844.
• [12] Emerging therapies for fibromyalgia. Expert Opin Emerg Drugs. 2008 Mar;13(1):53-62.
• [13] Management of postoperative nausea and vomiting: focus on palonosetron. Ther Clin Risk Manag. 2009 Feb;5(1):21-34.
• [14] Local anesthetics have different mechanisms and sites of action at recombinant 5-HT3 receptors. Reg Anesth Pain Med. 2007 Nov-Dec;32(6):462-70.
• [15] Cilansetron: a new serotonergic agent for the irritable bowel syndrome with diarrhoea.Expert Opin Investig Drugs.2005 Feb;14(2):185-93.
• [16] mu-Opioid/5-HT4 dual pharmacologically active agents-efforts towards an effective opioid analgesic with less GI and respiratory side effects (Part I). Bioorg Med Chem Lett. 2009 Oct 1;19(19):5679-83.
• [17] Effect of serotonin (5-HT)3-receptor antagonists YM060, YM114 (KAE-393), ondansetron and granisetron on 5-HT4 receptors and gastric emptying in rodents. Jpn J Pharmacol. 1995 Nov;69(3):205-14.
• [18] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [19] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [20] Acute wake-promoting actions of JNJ-5207852, a novel, diamine-based H3 antagonist. Br J Pharmacol. 2004 Nov;143(5):649-61.
• [21] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [22] JNJ-39220675, a novel selective histamine H3 receptor antagonist, reduces the abuse-related effects of alcohol in rats. Psychopharmacology (Berl). 2011 Apr;214(4):829-41.
• [23] SAR110894, a potent histamine H receptor antagonist, displays procognitive effects in rodents. Pharmacol Biochem Behav. 2012 Aug;102(2):203-14.
• [24] Randomized clinical study of a histamine H3 receptor antagonist for the treatment of adults with attention-deficit hyperactivity disorder. CNS Drugs. 2012 May 1;26(5):421-34.
• [25] A randomized study of H3 antagonist ABT-288 in mild-to-moderate Alzheimer's dementia.J Alzheimers Dis.2014;42(3):959-71.
• [26] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032225)