| Synonyms: | |
| Status: | Approved (1965) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N01BB04 |
| UNII: | 046O35D44R |
Structure
| InChI Key | MVFGUOIZUNYYSO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.32 |
| AlogP | 2.32 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 41.13 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 54000 | - | - | 14-59 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pregnancy | 2 | D011247 | ClinicalTrials |
| Skin Diseases | 2 | D012871 | ClinicalTrials |
| Neuralgia, Postherpetic | 2 | D051474 | ClinicalTrials |
| Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
| Keratosis, Actinic | 1 | D055623 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 721-50-6 |
| ChEBI | 8404 |
| ChEMBL | CHEMBL1194 |
| DrugBank | DB00750 |
| DrugCentral | 2265 |
| EPA CompTox | DTXSID7031955 |
| FDA SRS | 046O35D44R |
| Human Metabolome Database | HMDB0014888 |
| Guide to Pharmacology | 7276 |
| KEGG | C07531 |
| PharmGKB | PA451101 |
| PubChem | 4906 |
| SureChEMBL | SCHEMBL25467 |
CONTENTS