| Synonyms: | |
| Status: | Approved (1953) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | B4OB0JHI1X |
Structure
| InChI Key | KCLANYCVBBTKTO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H26N2O3 |
| Molecular Weight | 294.39 |
| AlogP | 2.56 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 64.79 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 1900 | - | - | 80 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 8485 |
| ChEMBL | CHEMBL1196 |
| DrugBank | DB00807 |
| DrugCentral | 2294 |
| EPA CompTox | DTXSID30198146 |
| FDA SRS | B4OB0JHI1X |
| Human Metabolome Database | HMDB0014945 |
| Guide to Pharmacology | 7283 |
| KEGG | C07383 |
| PharmGKB | PA164776849 |
| SureChEMBL | SCHEMBL23334 |
| ZINC | ZINC000001530762 |
CONTENTS