Therapeutic Targets Database
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TTD Drug ID: DNC005712

Drug Information
NameBEMESETRON
SynonymsBEMESETRON
IndicationNot AvailableExperimental    
Structure

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InChI1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6
-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14?
InChIKeyMNJNPLVXBISNSX-PBWFPOADSA-N
Canonical SMILESCN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl    
Isomeric SMILESCN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl
CAS NumberCAS 40796-97-2
TargetAdenosine A3 receptorInhibitor[1]
Serotonin 3a (5-HT3a) receptorInhibitor[2]
Serotonin 3b (5-HT3b) receptorInhibitor[2]
Ref 1J Med Chem. 2005 Nov 3;48(22):6887-96.2-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 pharmacological characterization. To Reference
Ref 2J Med Chem. 1992 Jan 24;35(2):310-9.Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. To Reference



 

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