| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | N05AB03 |
| UNII | FTA7XXY4EZ |
| EPA CompTox | DTXSID1023441 |
| InChI Key | RGCVKNLCSQQDEP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H26ClN3OS |
| Molecular Weight | 403.98 |
| AlogP | 3.94 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 29.95 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Dopamine D2 receptor antagonist | ANTAGONIST | PubMed PubMed PubMed PubMed Wikipedia |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 120 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | 33-740 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 0.3 | - | - | 99.5-100.2 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 23 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 113.26-130.02 |
|
Protein: Dopamine D2 receptor Description: D(2) dopamine receptor Organism : Homo sapiens P14416 ENSG00000149295 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 8028 |
| ChEMBL | CHEMBL567 |
| DrugBank | DB00850 |
| DrugCentral | 2113 |
| FDA SRS | FTA7XXY4EZ |
| Human Metabolome Database | HMDB0014988 |
| Guide to Pharmacology | 209 |
| KEGG | C07427 |
| PharmGKB | PA450882 |
| PubChem | 4748 |
| SureChEMBL | SCHEMBL42125 |
| ZINC | ZINC000019228902 |