| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A03FA06 |
| UNII | I0A84520Y9 |
| EPA CompTox | DTXSID7022831 |
| InChI Key | BVPWJMCABCPUQY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H24ClN3O2 |
| Molecular Weight | 373.88 |
| AlogP | 3.33 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 67.59 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Dopamine D2 receptor antagonist | ANTAGONIST | PubMed PubMed PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 890 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 602.56 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | - | 600 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 17 | - | 1.13-170 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 89-104 | - |
|
Protein: Dopamine D2 receptor Description: D(2) dopamine receptor Organism : Homo sapiens P14416 ENSG00000149295 |
||||
|
Protein: Serotonin 4 (5-HT4) receptor Description: 5-hydroxytryptamine receptor 4 Organism : Homo sapiens Q13639 ENSG00000164270 |
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| Resources | Reference |
|---|---|
| ChEBI | 92309 |
| ChEMBL | CHEMBL325109 |
| DrugBank | DB13511 |
| DrugCentral | 670 |
| FDA SRS | I0A84520Y9 |
| PubChem | 2780 |
| SureChEMBL | SCHEMBL25710 |
| ZINC | ZINC000000608261 |