| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05CD03 |
| UNII: | 620X0222FQ |
Structure
| InChI Key | PPTYJKAXVCCBDU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H12FN3O3 |
| Molecular Weight | 313.29 |
| AlogP | 2.55 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 75.81 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
1 | 2-8 | 3 | 1-3 | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31622 |
| ChEMBL | CHEMBL13280 |
| DrugBank | DB01544 |
| DrugCentral | 1202 |
| EPA CompTox | DTXSID7023065 |
| FDA SRS | 620X0222FQ |
| Human Metabolome Database | HMDB0015510 |
| Guide to Pharmacology | 4360 |
| PharmGKB | PA164781320 |
| PubChem | 3380 |
| SureChEMBL | SCHEMBL44169 |
| ZINC | ZINC000003812994 |
CONTENTS