| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | EFW857872Q |
Structure
| InChI Key | IUWVALYLNVXWKX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.25 |
| AlogP | 2.23 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.32 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 14.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 7-37 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 125 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 3231 |
| ChEMBL | CHEMBL127516 |
| DrugBank | DB11148 |
| DrugCentral | 3051 |
| EPA CompTox | DTXSID7022417 |
| FDA SRS | EFW857872Q |
| KEGG | C07875 |
| PubChem | 2482 |
| SureChEMBL | SCHEMBL81735 |
| ZINC | ZINC000001530937 |
CONTENTS