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

General Information of Drug (ID: DMSPJX9)

• Drug Name: BEMESETRON Drug Info
• Synonyms: 3-Tropanyl-3,5-dichlorobenzoate; MDL 72222; MDL-72222; C15H17Cl2NO2; CHEMBL376379; 40796-97-2; Tropyl 3,5-dichlorobenzoate; 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dichlorobenzoate; Bemesetron [USAN:INN]; Bemesetronum [INN-Latin]; 3,5-Dichloro-benzoic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; SR-01000075587; Tropanyl 3,5-dichlorobenzoate; 1alphaH,5alphaH-Tropan-3alpha-yl 3,5-dichlorobenzoate; endo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl 3,5-dichlorobenzoate; (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dichlorobenzo
• Cross-matching ID:
  PubChem CID: 671690
  CAS Number: CAS 40796-97-2
  TTD Drug ID: DMSPJX9

Molecule-Related Drug Atlas

Drug(s) Targeting Adenosine A3 receptor (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IB-MECA	DM9G5XD	Psoriasis vulgaris	EA90	Phase 3	[3]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[4]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[5]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[6]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[7]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[8]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[9]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[6]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[6]
METHYLTHIOADENOSINE	DMC8J6F	Multiple sclerosis	8A40	Terminated	[10]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
SEROTONIN	DMOFCRY	Discovery agent	N.A.	Investigative	[11]
2-methyl-5-HT	DM1S5CB	N. A.	N. A.	Investigative	[12]
QUIPAZINE	DMPY6IG	Discovery agent	N.A.	Investigative	[11]
MESULERGINE	DMKGWAH	Discovery agent	N.A.	Investigative	[13]
bilobalide	DM09Z35	Discovery agent	N.A.	Investigative	[14]
2-(4-Methyl-piperazin-1-yl)-quinoline	DMB8OY6	Discovery agent	N.A.	Investigative	[11]
BRL-24682	DMSB4EW	Discovery agent	N.A.	Investigative	[15]
6-(4-Methyl-piperazin-1-yl)-phenanthridine	DM1HAWR	Discovery agent	N.A.	Investigative	[11]
trichloroethanol	DMNALMF	Discovery agent	N.A.	Investigative	[16]
1-phenylbiguanide	DMA4XGL	Discovery agent	N.A.	Investigative	[17]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dolasetron	DMMG26Z	Nausea	MD90	Approved	[18]
Alosetron	DML2A03	Diarrhea-predominant irritable bowel syndrome	DD91.01	Approved	[19]
Tropisetron	DMNSJ7V	Fibromyalgia	MG30.01	Approved	[20]
Palonosetron	DMBHMOX	Nausea	MD90	Approved	[21]
Levetiracetam	DMTGDN8	Epilepsy	8A60-8A68	Approved	[20]
Procaine	DM4LSNE	Anaesthesia	9A78.6	Approved	[22]
Cilansetron	DMP0NGX	Irritable bowel syndrome	DD91.0	Phase 3	[23]
Norcisapride	DMJSKUI	Gastroesophageal reflux disease	DA22.Z	Discontinued in Phase 2	[24]
YM-114	DML2IXO	Nausea	MD90	Discontinued in Phase 2	[25]
ATI-17000	DMZJVR5	Irritable bowel syndrome	DD91.0	Preclinical	[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	[1]
5-HT 3B receptor (HTR3B)	TTR6K75	5HT3B_HUMAN	Inhibitor	[1]
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[2]

References

• [1] 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.
• [2] 2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96.
• [3] A role for central A3-adenosine receptors. Mediation of behavioral depressant effects. FEBS Lett. 1993 Dec 20;336(1):57-60.
• [4] 2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.
• [5] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [6] 2011 Pipeline of Can-Fite BioPharm.
• [7] Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5690-4.
• [8] Adenosine A1R/A3R (Adenosine A1 and A3 Receptor) Agonist AST-004 Reduces Brain Infarction in a Nonhuman Primate Model of Stroke. Stroke. 2022 Jan;53(1):238-248.
• [9] Protein kinase C protects preconditioned rabbit hearts by increasing sensitivity of adenosine A2b-dependent signaling during early reperfusion. J Mol Cell Cardiol. 2007 Sep;43(3):262-71.
• [10] Novel amino acid derived natural products from the ascidian Atriolum robustum: identification and pharmacological characterization of a unique aden... J Med Chem. 2004 Apr 22;47(9):2243-55.
• [11] 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.
• [12] The 5-HT3B subunit is a major determinant of serotonin-receptor function. Nature. 1999 Jan 28;397(6717):359-63.
• [13] Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. J Med Chem. 1997 Oct 24;40(22):3670-8.
• [14] 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.
• [15] 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.
• [16] 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.
• [17] Pharmacological comparison of human homomeric 5-HT3A receptors versus heteromeric 5-HT3A/3B receptors. Neuropharmacology. 2001 Aug;41(2):282-4.
• [18] 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.
• [19] 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.
• [20] Emerging therapies for fibromyalgia. Expert Opin Emerg Drugs. 2008 Mar;13(1):53-62.
• [21] Management of postoperative nausea and vomiting: focus on palonosetron. Ther Clin Risk Manag. 2009 Feb;5(1):21-34.
• [22] 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.
• [23] Cilansetron: a new serotonergic agent for the irritable bowel syndrome with diarrhoea.Expert Opin Investig Drugs.2005 Feb;14(2):185-93.
• [24] 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.
• [25] 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.
• [26] Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.