Trade Names: | |
Synonyms: | |
Status: | Approved (2009) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | N05AX14 |
UNII: | VPO7KJ050N |
InChI Key | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C24H27FN2O4 |
Molecular Weight | 426.49 |
AlogP | 4.83 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 8.0 |
Polar Surface Area | 64.8 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 31.0 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Dopamine D2 receptor antagonist | DailyMed |
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
Adrenergic receptor
|
- | 0 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 110 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | 210 | - | - | - | |
Membrane receptor
|
- | 0 | - | - | - | |
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 23400 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Schizophrenia | 4 | D012559 | ClinicalTrials |
Bipolar Disorder | 3 | D001714 | ClinicalTrials |
Stress Disorders, Post-Traumatic | 2 | D013313 | ClinicalTrials |
Liver Diseases | 1 | D008107 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 133454-47-4 |
ChEBI | 65173 |
ChEMBL | CHEMBL14376 |
DrugBank | DB04946 |
DrugCentral | 3294 |
EPA CompTox | DTXSID6049060 |
FDA SRS | VPO7KJ050N |
Guide to Pharmacology | 87 |
KEGG | D02666 |
PubChem | 71360 |
SureChEMBL | SCHEMBL115755 |
ZINC | ZINC000001548097 |