| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N07CA02 |
| UNII: | 3DI2E1X18L |
Structure
| InChI Key | DERZBLKQOCDDDZ-JLHYYAGUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H28N2 |
| Molecular Weight | 368.52 |
| AlogP | 5.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 6.48 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 28.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 440 | - | - | 95 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 103 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 15700-15700 | - | - | - |
Indications
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 298-57-7 |
| ChEBI | 31403 |
| ChEMBL | CHEMBL43064 |
| DrugCentral | 654 |
| EPA CompTox | DTXSID3022821 |
| FDA SRS | 3DI2E1X18L |
| Guide to Pharmacology | 9072 |
| PubChem | 1547484 |
| SureChEMBL | SCHEMBL44957 |
| ZINC | ZINC000019632891 |
CONTENTS