| Synonyms: | |
| Status: | Approved (1954) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C05AD05 |
| UNII: | 4Z8Y51M438 |
Structure
| InChI Key | MFDFERRIHVXMIY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.31 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 55.56 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| 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
|
- | - | - | - | 47 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Osteomyelitis | 0 | D010019 | ClinicalTrials |
Related Entries
MCS
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-46-1 |
| ChEBI | 8430 |
| ChEMBL | CHEMBL569 |
| DrugBank | DB00721 |
| DrugCentral | 2271 |
| EPA CompTox | DTXSID7045021 |
| FDA SRS | 4Z8Y51M438 |
| Human Metabolome Database | HMDB0014859 |
| Guide to Pharmacology | 4291 |
| KEGG | C07375 |
| PharmGKB | PA451110 |
| PubChem | 4914 |
| SureChEMBL | SCHEMBL3524 |
| ZINC | ZINC000001530757 |
CONTENTS