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 |