| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1951) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N03AX07 |
| UNII: | PAI7J52V09 |
| InChI Key | XPFRXWCVYUEORT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.19 |
| AlogP | 0.42 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.19 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| BLOCKER | Sodium channel alpha subunit blocker | Expert |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 105 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 63-98-9 |
| ChEBI | 8049 |
| ChEMBL | CHEMBL918 |
| DrugBank | DB01121 |
| DrugCentral | 2114 |
| EPA CompTox | DTXSID6023442 |
| FDA SRS | PAI7J52V09 |
| Human Metabolome Database | HMDB0015253 |
| Guide to Pharmacology | 7265 |
| KEGG | C07428 |
| PharmGKB | PA164745309 |
| PubChem | 4753 |
| SureChEMBL | SCHEMBL35118 |
| ZINC | ZINC000000001916 |