| Synonyms: | |
| Status: | Approved (1963) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R01BA02 |
| UNII: | 7CUC9DDI9F |
Structure
| InChI Key | KWGRBVOPPLSCSI-WCBMZHEXSA-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
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Phosphatase
|
- | - | - | - | 2 | |
|
Enzyme
|
- | - | - | - | 13 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
| Common Cold | 3 | D003139 | ClinicalTrials |
| Rhinitis, Vasomotor | 3 | D012223 | ClinicalTrials |
| Respiratory Tract Infections | 3 | D012141 | ClinicalTrials |
| Rhinitis, Allergic, Perennial | 3 | D012221 | ClinicalTrials |
| Cough | 3 | D003371 | ClinicalTrials |
| Rhinitis | 3 | D012220 | ClinicalTrials |
| Inflammation | 3 | D007249 | ClinicalTrials |
| Hypersensitivity | 1 | D006967 | ClinicalTrials |
| Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
| Multiple System Atrophy | 0 | D019578 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 90-82-4 |
| ChEBI | 51209 |
| ChEMBL | CHEMBL1590 |
| DrugBank | DB00852 |
| DrugCentral | 2326 |
| EPA CompTox | DTXSID0023537 |
| FDA SRS | 7CUC9DDI9F |
| Human Metabolome Database | HMDB0001943 |
| Guide to Pharmacology | 7286 |
| KEGG | C02765 |
| PharmGKB | PA451170 |
| PubChem | 7028 |
| SureChEMBL | SCHEMBL4368 |
| ZINC | ZINC000000020259 |
CONTENTS