| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | XFX1A5KJ3V |
Structure
| InChI Key | BMPDWHIDQYTSHX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H14N2O2 |
| Molecular Weight | 254.29 |
| AlogP | 2.49 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 66.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
P2X receptor
|
- | - | - | - | 28 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Bipolar Disorder | 3 | D001714 | ClinicalTrials |
| Bipolar Disorder | 3 | D001714 | ClinicalTrials |
| Epilepsy | 1 | D004827 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 701 |
| ChEMBL | CHEMBL1067 |
| EPA CompTox | DTXSID50865484 |
| FDA SRS | XFX1A5KJ3V |
| Human Metabolome Database | HMDB0060676 |
| KEGG | C07493 |
| PubChem | 114709 |
| SureChEMBL | SCHEMBL420263 |
CONTENTS