| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1974) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 1DWS68PNE6 |
| Parent Compound: | MOLINDONE |
Structure
| InChI Key | GQWNECFJGBQMBO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H25ClN2O2 |
| Molecular Weight | 312.84 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 45.33 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Dopamine D2 receptor antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 4.282 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -22.43--4.32 |
Indications
Related Entries
Adverse Reactions
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6966 |
| ChEMBL | CHEMBL1200419 |
| EPA CompTox | DTXSID5045417 |
| FDA SRS | 1DWS68PNE6 |
| Guide to Pharmacology | 207 |
| KEGG | C07230 |
| PubChem | 57455770 |
| SureChEMBL | SCHEMBL41018 |
| ZINC | ZINC22002218 |
CONTENTS