| Synonyms: | |
| Status: | Approved (1993) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R01AC02 |
| UNII: | COU3RRH769 |
Structure
| InChI Key | ZCGOMHNNNFPNMX-KYTRFIICSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H29FN2O2 |
| Molecular Weight | 420.53 |
| AlogP | 4.89 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 64.33 |
| Molecular species | ZWITTERION |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Neurotensin receptor
|
28 | - | - | 33 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Rhinitis, Allergic, Seasonal | 2 | D006255 | ClinicalTrials |
| Rhinitis, Allergic, Perennial | 2 | D012221 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79516-68-0 |
| ChEBI | 135679 |
| ChEMBL | CHEMBL1615438 |
| DrugBank | DB01106 |
| DrugCentral | 1564 |
| EPA CompTox | DTXSID1048548 |
| FDA SRS | COU3RRH769 |
| Guide to Pharmacology | 1586 |
| SureChEMBL | SCHEMBL4577 |
| ZINC | ZINC000100089496 |
CONTENTS