| Synonyms: | |
| Status: | Approved Withdrawn (1990) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | G02CA03 |
| UNII: | 22M9P70OQ9 |
| InChI Key | LSLYOANBFKQKPT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.36 |
| AlogP | 2.06 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 92.95 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
| Primary Target | |
|---|---|
| β2-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
|
18-19 | 60 | 100-139 | 126 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 103 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asthma | 3 | D001249 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
| Heart Failure | 1 | D006333 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13392-18-2 |
| ChEBI | 149226 |
| ChEMBL | CHEMBL32800 |
| DrugBank | DB01288 |
| DrugCentral | 1155 |
| EPA CompTox | DTXSID4023046 |
| FDA SRS | 22M9P70OQ9 |
| Human Metabolome Database | HMDB0015405 |
| Guide to Pharmacology | 557 |
| PharmGKB | PA10079 |
| PubChem | 688468 |
| SureChEMBL | SCHEMBL5009 |