| Synonyms: | |
| Status: | Approved (1950) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05CA06 |
| UNII: | 1P7H87IN75 |
Structure
| InChI Key | KQPKPCNLIDLUMF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.29 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 75.27 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 4 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 9073 |
| ChEMBL | CHEMBL447 |
| DrugBank | DB00418 |
| DrugCentral | 2428 |
| EPA CompTox | DTXSID6044145 |
| FDA SRS | 1P7H87IN75 |
| Human Metabolome Database | HMDB0014562 |
| Guide to Pharmacology | 7615 |
| PubChem | 5193 |
| SureChEMBL | SCHEMBL80734 |
CONTENTS