| Synonyms: | |
| Status: | Approved (2006) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | F91H02EBWT |
Structure
| InChI Key | BPZSYCZIITTYBL-YJYMSZOUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H24N2O4 |
| Molecular Weight | 344.41 |
| AlogP | 2.22 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 90.82 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| 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
|
0-0 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asthma | 3 | D001249 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
| Emphysema | 3 | D004646 | ClinicalTrials |
| Bronchitis, Chronic | 3 | D029481 | ClinicalTrials |
| Bronchial Spasm | 3 | D001986 | ClinicalTrials |
| Bronchitis | 3 | D001991 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67346-49-0 |
| ChEBI | 408174 |
| ChEMBL | CHEMBL1363 |
| DrugBank | DB01274 |
| DrugCentral | 4943 |
| EPA CompTox | DTXSID1023077 |
| FDA SRS | F91H02EBWT |
| Human Metabolome Database | HMDB0015399 |
| Guide to Pharmacology | 7479 |
| PDB | H98 |
| PharmGKB | PA164743977 |
| PubChem | 3083544 |
| SureChEMBL | SCHEMBL4247 |
| ZINC | ZINC000002599970 |
CONTENTS