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Status: | Approved Withdrawn (1990) |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 |