| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05CD02 |
| UNII: | 9CLV70W7HS |
Structure
| InChI Key | KJONHKAYOJNZEC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11N3O3 |
| Molecular Weight | 281.27 |
| AlogP | 2.38 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 84.6 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | 38 | - | - | - |
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 |
| Epilepsy | 2 | D004827 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 146-22-5 |
| ChEBI | 7581 |
| ChEMBL | CHEMBL13209 |
| DrugBank | DB01595 |
| DrugCentral | 1945 |
| EPA CompTox | DTXSID5023372 |
| FDA SRS | 9CLV70W7HS |
| Human Metabolome Database | HMDB0015534 |
| KEGG | C07487 |
| PharmGKB | PA10242 |
| PubChem | 4506 |
| SureChEMBL | SCHEMBL35202 |
| ZINC | ZINC000004311748 |
CONTENTS