| Synonyms: | |
| Status: | Approved (2016) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01CA26 |
| UNII: | GN83C131XS |
Structure
| InChI Key | KWGRBVOPPLSCSI-WPRPVWTQSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.24 |
| AlogP | 1.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 32.26 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Primary Target | |
|---|---|
| β2-adrenoceptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphatase
|
- | - | - | - | 0 | |
|
Enzyme
|
- | - | - | - | 0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pre-Eclampsia | 3 | D011225 | ClinicalTrials |
| Hypotension | 2 | D007022 | ClinicalTrials |
| Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
| Hemorrhage | 2 | D006470 | ClinicalTrials |
| Blood Coagulation Disorders | 2 | D001778 | ClinicalTrials |
| Pain | 1 | D010146 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 299-42-3 |
| ChEBI | 15407 |
| ChEMBL | CHEMBL211456 |
| DrugBank | DB01364 |
| DrugCentral | 1024 |
| EPA CompTox | DTXSID0022985 |
| FDA SRS | GN83C131XS |
| Human Metabolome Database | HMDB0015451 |
| Guide to Pharmacology | 556 |
| KEGG | C01575 |
| PharmGKB | PA449466 |
| PubChem | 9294 |
| SureChEMBL | SCHEMBL4785 |
| ZINC | ZINC000000074836 |
CONTENTS