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 |