| Synonyms: | |
| Status: | Approved (1996) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R01AC08 |
| UNII: | D27V6190PM |
Structure
| InChI Key | JBIMVDZLSHOPLA-LSCVHKIXSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H23NO3 |
| Molecular Weight | 337.42 |
| AlogP | 3.59 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 49.77 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 25.0 |
Pharmacology
| 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
Dopamine receptor
|
- | - | - | - | 20 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Conjunctivitis, Allergic | 3 | D003233 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
| Rhinitis, Allergic, Perennial | 3 | D012221 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 113806-05-6 |
| ChEMBL | CHEMBL1189432 |
| DrugBank | DB00768 |
| DrugCentral | 1986 |
| EPA CompTox | DTXSID3023390 |
| FDA SRS | D27V6190PM |
| Human Metabolome Database | HMDB0014906 |
| Guide to Pharmacology | 7249 |
| PharmGKB | PA450698 |
| PubChem | 5281071 |
| SureChEMBL | SCHEMBL4668 |
| ZINC | ZINC000000001850 |
CONTENTS