| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A03FA09 |
| UNII | I8MFJ1C0BY |
| EPA CompTox | DTXSID2048408 |
| InChI Key | YPELFRMCRYSPKZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H25ClFN3O3 |
| Molecular Weight | 421.9 |
| AlogP | 3.09 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 76.82 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Serotonin 3 (5-HT3) receptor antagonist | ANTAGONIST | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 113 | - | 69.9-84 | - |
|
Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3E Organism : Homo sapiens A5X5Y0 ENSG00000186038 |
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Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3B Organism : Homo sapiens O95264 ENSG00000149305 |
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Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3A Organism : Homo sapiens P46098 ENSG00000166736 |
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|
Protein: Serotonin 4 (5-HT4) receptor Description: 5-hydroxytryptamine receptor 4 Organism : Homo sapiens Q13639 ENSG00000164270 |
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Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3D Organism : Homo sapiens Q70Z44 ENSG00000186090 |
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|
Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3C Organism : Homo sapiens Q8WXA8 ENSG00000178084 |
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| Resources | Reference |
|---|---|
| ChEBI | 167204 |
| ChEMBL | CHEMBL60889 |
| DrugBank | DB11675 |
| DrugCentral | 1848 |
| FDA SRS | I8MFJ1C0BY |
| Guide to Pharmacology | 242 |
| PubChem | 119584 |
| SureChEMBL | SCHEMBL16417 |