Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0V3GT
|
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| Former ID |
DNC005712
|
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| Drug Name |
BEMESETRON
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Discontinued in Phase 3 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H17Cl2NO2
|
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| Canonical SMILES |
CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl
|
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| 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?
|
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| InChIKey |
MNJNPLVXBISNSX-PBWFPOADSA-N
|
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| CAS Number |
CAS 40796-97-2
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 5-hydroxy-tryptamine 3B receptor | Target Info | Inhibitor | [2] | |
| 5-hydroxytryptamine receptor 3A | Target Info | Inhibitor | [2] | ||
| Adenosine A3 receptor | Target Info | Inhibitor | [3] | ||
| 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 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000675) | ||||
| REF 2 | J Med Chem. 1992 Jan 24;35(2):310-9.Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships. | ||||
| REF 3 | J 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. | ||||
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