| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 9KCW39P2EI |
Structure
| InChI Key | DKMACHNQISHMDN-RPLLCQBOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C29H31F3N2O3 |
| Molecular Weight | 512.57 |
| AlogP | 5.74 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 50.8 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 37.0 |
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)
Orexin receptor
|
- | 13-119 | - | 5-8 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sleep Initiation and Maintenance Disorders | 3 | D007319 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 871224-64-5 |
| ChEMBL | CHEMBL455136 |
| DrugBank | DB06673 |
| FDA SRS | 9KCW39P2EI |
| Guide to Pharmacology | 2886 |
| PubChem | 23727689 |
| SureChEMBL | SCHEMBL196577 |
| ZINC | ZINC000035953488 |
CONTENTS