| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | C07AA03 |
| UNII | BJ4HF6IU1D |
| EPA CompTox | DTXSID8023476 |
| InChI Key | JZQKKSLKJUAGIC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.33 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 57.28 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Beta-1 adrenergic receptor partial agonist | PARTIAL AGONIST | 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
|
- | - | 0.537-165.96 | 0.4-0.52 | 84 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
27 | - | 63.1 | 20-110 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -24.7-97.58 |
|
Protein: Beta-2 adrenergic receptor Description: Beta-2 adrenergic receptor Organism : Homo sapiens P07550 ENSG00000169252 |
||||
|
Protein: Beta-1 adrenergic receptor Description: Beta-1 adrenergic receptor Organism : Homo sapiens P08588 ENSG00000043591 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 8214 |
| ChEMBL | CHEMBL500 |
| DrugBank | DB00960 |
| DrugCentral | 2176 |
| FDA SRS | BJ4HF6IU1D |
| Human Metabolome Database | HMDB0015095 |
| Guide to Pharmacology | 91 |
| KEGG | C07445 |
| PharmGKB | PA450966 |
| PubChem | 4828 |
| SureChEMBL | SCHEMBL5219 |
| ZINC | ZINC00056646 |