| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1969) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN Prodrug |
| UNII: | KL6248WNW4 |
| InChI Key | BTFMCMVEUCGQDX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C24H30N2O2S |
| Molecular Weight | 410.58 |
| AlogP | 4.98 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 43.78 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Dopamine D2 receptor antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 13.16 | |
|
Enzyme
Transferase
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | 2187 | - | - | 38.43-77.68 |
| Resources | Reference |
|---|---|
| ChEBI | 92293 |
| ChEMBL | CHEMBL1584 |
| DrugCentral | 2186 |
| EPA CompTox | DTXSID7023481 |
| FDA SRS | KL6248WNW4 |
| PubChem | 19675 |
| SureChEMBL | SCHEMBL148569 |
| ZINC | ZINC000000538186 |