| Synonyms: | |
| Status: | Approved (1952) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01CA06 |
| UNII: | 1WS297W6MV |
Structure
| InChI Key | SONNWYBIRXJNDC-VIFPVBQESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.21 |
| AlogP | 0.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.49 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Primary Target | |
|---|---|
| α1A-adrenoceptor | |
| α1B-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
|
55-2951 | 78-520 | - | 270-390 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cardiovascular Diseases | 4 | D002318 | ClinicalTrials |
| Respiratory Tract Infections | 3 | D012141 | ClinicalTrials |
| Stroke | 3 | D020521 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
| Eye Diseases | 3 | D005128 | ClinicalTrials |
| Hypotension | 3 | D007022 | ClinicalTrials |
| Common Cold | 3 | D003139 | ClinicalTrials |
| Fecal Incontinence | 3 | D005242 | ClinicalTrials |
| Influenza, Human | 3 | D007251 | ClinicalTrials |
| Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
| Mydriasis | 2 | D015878 | ClinicalTrials |
| Bronchiolitis | 2 | D001988 | ClinicalTrials |
| Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
| Acute Lung Injury | 2 | D055371 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 2 | D013313 | ClinicalTrials |
| Shock, Septic | 2 | D012772 | ClinicalTrials |
| Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
| Stomatitis | 1 | D013280 | ClinicalTrials |
| Orthostatic Intolerance | 1 | D054971 | ClinicalTrials |
| Mucositis | 1 | D052016 | ClinicalTrials |
| Pain | 1 | D010146 | ClinicalTrials |
| Ovarian Cysts | 1 | D010048 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Infections | 1 | D007239 | ClinicalTrials |
| Hypertension | 1 | D006973 | ClinicalTrials |
| Vascular Diseases | 0 | D014652 | ClinicalTrials |
| Obesity | 0 | D009765 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-42-7 |
| ChEBI | 8093 |
| ChEMBL | CHEMBL1215 |
| DrugBank | DB00388 |
| DrugCentral | 2146 |
| EPA CompTox | DTXSID9023465 |
| FDA SRS | 1WS297W6MV |
| Human Metabolome Database | HMDB0002182 |
| Guide to Pharmacology | 485 |
| KEGG | C07441 |
| PharmGKB | PA450935 |
| PubChem | 6041 |
| SureChEMBL | SCHEMBL4711 |
| ZINC | ZINC000000113355 |
CONTENTS