| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A01AD01 B02BC09 C01CA24 R01AA14 R03AA01 S01EA01 |
| UNII | YKH834O4BH |
| EPA CompTox | DTXSID5022986 |
| InChI Key | UCTWMZQNUQWSLP-VIFPVBQESA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.21 |
| AlogP | 0.35 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 72.72 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Adrenergic receptor agonist | 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
|
15-436 | 8-17 | 630-630.96 | 5-720 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | 910 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 29.1 |
| Resources | Reference |
|---|---|
| ChEBI | 28918 |
| ChEMBL | CHEMBL679 |
| DrugBank | DB00668 |
| DrugCentral | 1028 |
| FDA SRS | YKH834O4BH |
| Human Metabolome Database | HMDB0000068 |
| Guide to Pharmacology | 479 |
| KEGG | C00788 |
| PDB | ALE |
| PharmGKB | PA449470 |
| PubChem | 5816 |
| SureChEMBL | SCHEMBL3814 |
| ZINC | ZINC000000039089 |