| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N05CD09 |
| UNII: | 5XZM1R3DKF |
Structure
| InChI Key | UMSGKTJDUHERQW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H10BrClN4S |
| Molecular Weight | 393.7 |
| AlogP | 4.4 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.07 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 22.0 |
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)
Lipid-like ligand receptor (family A GPCR)
PAF receptor
|
- | 300 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Sleep Initiation and Maintenance Disorders | 3 | D007319 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57801-81-7 |
| ChEBI | 31308 |
| ChEMBL | CHEMBL32479 |
| DrugBank | DB09017 |
| DrugCentral | 409 |
| EPA CompTox | DTXSID0022692 |
| FDA SRS | 5XZM1R3DKF |
| PubChem | 2451 |
| SureChEMBL | SCHEMBL44067 |
| ZINC | ZINC000002570830 |
CONTENTS