| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 4ZA73QEW2P |
Structure
| InChI Key | COSPVUFTLGQDQL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H15BrF2N4O2 |
| Molecular Weight | 437.24 |
| AlogP | 4.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 68.18 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 27.0 |
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
Serotonin receptor
|
- | 1 | - | 1-1 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sleep Initiation and Maintenance Disorders | 2 | D007319 | ClinicalTrials |
| Lewy Body Disease | 2 | D020961 | ClinicalTrials |
| Hallucinations | 2 | D006212 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 839713-36-9 |
| ChEMBL | CHEMBL598172 |
| DrugBank | DB12555 |
| EPA CompTox | DTXSID40232868 |
| FDA SRS | 4ZA73QEW2P |
| PubChem | 11683556 |
| SureChEMBL | SCHEMBL2345325 |
| ZINC | ZINC000038239930 |
CONTENTS