| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1978) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | W5S57Y3A5L |
| Parent Compound: | METOPROLOL |
| InChI Key | YGULWPYYGQCFMP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C34H56N2O12 |
| Molecular Weight | 684.82 |
| AlogP | 1.61 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 50.72 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Beta-1 adrenergic receptor antagonist | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 110 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 4 | D006333 | ClinicalTrials |
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
| Heart Diseases | 3 | D006331 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2062335 |
| FDA SRS | W5S57Y3A5L |
| PubChem | 441308 |
| SureChEMBL | SCHEMBL2051655 |