Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0V3GT
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| Former ID |
DNC005712
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| Drug Name |
BEMESETRON
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| 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
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| 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 | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 3A receptor (HTR3A) | Target Info | Inhibitor | [1] |
| 5-HT 3B receptor (HTR3B) | Target Info | Inhibitor | [1] | |
| Adenosine A3 receptor (ADORA3) | Target Info | Inhibitor | [2] | |
| KEGG Pathway | Serotonergic synapse | |||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | 5HT3 type receptor mediated signaling pathway | |||
| Reactome | Ligand-gated ion channel transport | |||
| Adenosine P1 receptors | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | Iron uptake and transport | |||
| SIDS Susceptibility Pathways | ||||
| Nucleotide GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 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. | |||
| REF 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. | |||
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