Drug Information

Drug General Information
Drug ID
D0V3GT
Former ID
DNC005712
Drug Name
BEMESETRON
Drug Type
Small molecular drug
Indication Discovery agent Discontinued in Phase 3 [544703]
Structure
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2D MOL

3D MOL
Formula
C15H17Cl2NO2
Canonical SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
1S/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?
InChIKey
MNJNPLVXBISNSX-PBWFPOADSA-N
CAS Number
CAS 40796-97-2
PubChem Compound ID
1683
Target and Pathway
Target(s) 5-hydroxy-tryptamine 3B receptor Target Info Inhibitor [528702]
5-hydroxytryptamine receptor 3A Target Info Inhibitor [528702]
Adenosine A3 receptor Target Info Inhibitor [527823]
KEGG Pathway Serotonergic synapsehsa04726:Serotonergic synapse
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway 5HT3 type receptor mediated signaling pathwayP04375:5HT3 type receptor mediated signaling pathway
Reactome Ligand-gated ion channel transportR-HSA-975298:Ligand-gated ion channel transportR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Iron uptake and transportWP706:SIDS Susceptibility Pathways
Iron uptake and transportWP80:Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, Other
References
Ref 544703Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000675)
Ref 527823J 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.
Ref 528702J Med Chem. 1992 Jan 24;35(2):310-9.Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships.

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