| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C07AA03 |
| UNII: | BJ4HF6IU1D |
| InChI Key | JZQKKSLKJUAGIC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| 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 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| PARTIAL AGONIST | Beta-1 adrenergic receptor partial agonist | DailyMed |
| Primary Target | |
|---|---|
| β1-adrenoceptor | |
| β2-adrenoceptor |
| 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
|
- | - | 1-1 | 0 | 84 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
27 | - | 63 | 22-110 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -25-85 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder | 2 | D003866 | ClinicalTrials |
| Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13523-86-9 |
| ChEBI | 8214 |
| ChEMBL | CHEMBL500 |
| DrugBank | DB00960 |
| DrugCentral | 2176 |
| EPA CompTox | DTXSID8023476 |
| FDA SRS | BJ4HF6IU1D |
| Human Metabolome Database | HMDB0015095 |
| Guide to Pharmacology | 91 |
| KEGG | C07445 |
| PharmGKB | PA450966 |
| PubChem | 4828 |
| SureChEMBL | SCHEMBL5219 |
| ZINC | ZINC00056646 |