| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1965) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A01AD01 |
| UNII: | YKH834O4BH |
| InChI Key | UCTWMZQNUQWSLP-VIFPVBQESA-N |
|---|---|
| Smile | |
| 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 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| AGONIST | Adrenergic receptor 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 | 17 | 630-631 | 200-14000 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | 55000 | 910 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 29 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hemorrhage | 4 | D006470 | ClinicalTrials |
| Heart Arrest | 4 | D006323 | ClinicalTrials |
| Pain | 3 | D010146 | ClinicalTrials |
| Pulpitis | 3 | D011671 | ClinicalTrials |
| Rhinitis, Allergic, Perennial | 3 | D012221 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Bronchiolitis | 3 | D001988 | ClinicalTrials |
| Gastrointestinal Hemorrhage | 3 | D006471 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Myoma | 3 | D009214 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Appendicitis | 2 | D001064 | ClinicalTrials |
| Death, Sudden, Cardiac | 2 | D016757 | ClinicalTrials |
| Wounds and Injuries | 2 | D014947 | ClinicalTrials |
| Rotator Cuff Injuries | 2 | D000070636 | ClinicalTrials |
| Hypospadias | 2 | D007021 | ClinicalTrials |
| Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Osteoarthritis, Knee | 2 | D020370 | ClinicalTrials |
| Hemoptysis | 2 | D006469 | ClinicalTrials |
| Shock | 2 | D012769 | ClinicalTrials |
| Ventricular Fibrillation | 2 | D014693 | ClinicalTrials |
| Acute Lung Injury | 2 | D055371 | ClinicalTrials |
| Tachycardia, Ventricular | 2 | D017180 | ClinicalTrials |
| Infections | 1 | D007239 | ClinicalTrials |
| Diabetes Mellitus | 0 | D003920 | ClinicalTrials |
| Parathyroid Neoplasms | 0 | D010282 | ClinicalTrials |
| Depressive Disorder | 0 | D003866 | ClinicalTrials |
| Skin Neoplasms | 0 | D012878 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-43-4 |
| ChEBI | 28918 |
| ChEMBL | CHEMBL679 |
| DrugBank | DB00668 |
| DrugCentral | 1028 |
| EPA CompTox | DTXSID5022986 |
| FDA SRS | YKH834O4BH |
| Human Metabolome Database | HMDB0000068 |
| Guide to Pharmacology | 479 |
| KEGG | C00788 |
| PDB | ALE |
| PharmGKB | PA449470 |
| PubChem | 5816 |
| SureChEMBL | SCHEMBL3814 |
| ZINC | ZINC000000039089 |