Synonyms: | |
Status: | Approved (1952) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C01CA06 |
UNII: | 1WS297W6MV |
InChI Key | SONNWYBIRXJNDC-VIFPVBQESA-N |
---|---|
Smile | |
InChI |
|
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 |
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 | - |
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 |
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 |