| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1979) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | W1792A2RVD |
| Parent Compound: | METOCLOPRAMIDE |
| InChI Key | RVFUNJWWXKCWNS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H25Cl2N3O3 |
| Molecular Weight | 354.28 |
| AlogP | 2.0 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 67.59 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 20.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Dopamine D2 receptor antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 17.62 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -10.99-4.13 |
| Resources | Reference |
|---|---|
| ChEBI | 6899 |
| ChEMBL | CHEMBL1200940 |
| FDA SRS | W1792A2RVD |
| Guide to Pharmacology | 241 |
| KEGG | C07868 |
| PubChem | 43833342 |
| SureChEMBL | SCHEMBL133509 |
| ZINC | ZINC01530716 |