| Synonyms: | |
| Status: | Approved (1967) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | NQO8R319LY |
Structure
| InChI Key | OGAKLTJNUQRZJU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H27NO |
| Molecular Weight | 309.45 |
| AlogP | 4.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 23.47 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 3400 | - | - | 65 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 4638 |
| ChEMBL | CHEMBL936 |
| DrugBank | DB01231 |
| DrugCentral | 313 |
| EPA CompTox | DTXSID3022950 |
| FDA SRS | NQO8R319LY |
| Human Metabolome Database | HMDB0015361 |
| Guide to Pharmacology | 7163 |
| KEGG | C06961 |
| PharmGKB | PA164746037 |
| PubChem | 3055 |
| SureChEMBL | SCHEMBL34469 |
| ZINC | ZINC000000968266 |
CONTENTS