| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1981) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | QF8SVZ843E |
Structure
| InChI Key | NDAUXUAQIAJITI-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.31 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 72.72 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| AGONIST | Beta-2 adrenergic receptor agonist | FDA |
| 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
|
1-268 | 980-1995 | 110-1160 | 510-1828 | - | |
|
Unclassified protein
|
- | - | - | - | 80-96 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pulmonary Disease, Chronic Obstructive | 4 | D029424 | ClinicalTrials |
| Asthma | 4 | D001249 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Dysautonomia, Familial | 3 | D004402 | ClinicalTrials |
| Hypertension, Pulmonary | 3 | D006976 | ClinicalTrials |
| Lung Diseases | 3 | D008171 | ClinicalTrials |
| Organophosphate Poisoning | 3 | D062025 | ClinicalTrials |
| Hypertension, Pulmonary | 3 | D006976 | ClinicalTrials |
| Spinal Cord Injuries | 2 | D013119 | ClinicalTrials |
| Cough | 2 | D003371 | ClinicalTrials |
| Bronchiolitis | 2 | D001988 | ClinicalTrials |
| Familial Primary Pulmonary Hypertension | 2 | D065627 | ClinicalTrials |
| Memory Disorders | 2 | D008569 | ClinicalTrials |
| Status Asthmaticus | 2 | D013224 | ClinicalTrials |
| Hypersensitivity | 2 | D006967 | ClinicalTrials |
| Respiratory Insufficiency | 2 | D012131 | ClinicalTrials |
| Pulmonary Edema | 2 | D011654 | ClinicalTrials |
| Depressive Disorder, Major | 1 | D003865 | ClinicalTrials |
| Lymphangioleiomyomatosis | 1 | D018192 | ClinicalTrials |
| Myasthenic Syndromes, Congenital | 1 | D020294 | ClinicalTrials |
| Kartagener Syndrome | 1 | D007619 | ClinicalTrials |
| Idiopathic Pulmonary Fibrosis | 1 | D054990 | ClinicalTrials |
| Glycogen Storage Disease Type II | 1 | D006009 | ClinicalTrials |
| Diabetes Mellitus | 1 | D003920 | ClinicalTrials |
Related Entries
MCS
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18559-94-9 |
| ChEBI | 2549 |
| ChEMBL | CHEMBL714 |
| DrugBank | DB01001 |
| DrugCentral | 105 |
| EPA CompTox | DTXSID5021255 |
| FDA SRS | QF8SVZ843E |
| Human Metabolome Database | HMDB0001937 |
| Guide to Pharmacology | 558 |
| PharmGKB | PA448068 |
| PubChem | 2083 |
| SureChEMBL | SCHEMBL4913 |
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