Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | R03AC16 |
UNII: | X7I3EMM5K0 |
InChI Key | FKNXQNWAXFXVNW-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H22N2O3 |
Molecular Weight | 290.36 |
AlogP | 2.04 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 85.35 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 21.0 |
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
|
- | - | 79 | 33 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | 86000 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Asthma | 3 | D001249 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 72332-33-3 |
ChEBI | 91585 |
ChEMBL | CHEMBL160519 |
FDA SRS | X7I3EMM5K0 |
Guide to Pharmacology | 3464 |
PubChem | 688563 |
SureChEMBL | SCHEMBL4632 |