| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N01BB03 |
| UNII: | B6E06QE59J |
Structure
| InChI Key | INWLQCZOYSRPNW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H22N2O |
| Molecular Weight | 246.35 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 32.34 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 5-29 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 3 | D010146 | ClinicalTrials |
| Osteoarthritis, Hip | 2 | D015207 | ClinicalTrials |
| Compartment Syndromes | 1 | D003161 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 6759 |
| ChEMBL | CHEMBL1087 |
| DrugBank | DB00961 |
| DrugCentral | 1700 |
| EPA CompTox | DTXSID9023259 |
| FDA SRS | B6E06QE59J |
| Human Metabolome Database | HMDB0015096 |
| Guide to Pharmacology | 7224 |
| KEGG | C07528 |
| PharmGKB | PA164748741 |
| SureChEMBL | SCHEMBL25314 |
CONTENTS