| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | C01BB01 C05AD01 D04AB01 N01BB02 R02AD02 S01HA07 S02DA01 |
| UNII | 98PI200987 |
| EPA CompTox | DTXSID1045166 |
| InChI Key | NNJVILVZKWQKPM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.34 |
| AlogP | 2.58 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 32.34 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Potassium channels
Two-pore domain potassium channel
|
- | - | - | - | 62 | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 9.8-31.4 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | ||
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | - | - | - | 7 | |
|
Unclassified protein
|
- | - | - | - | 0-1.1 |
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 1 subunit alpha Organism : Homo sapiens P35498 ENSG00000144285 |
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|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 4 subunit alpha Organism : Homo sapiens P35499 ENSG00000007314 |
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|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 5 subunit alpha Organism : Homo sapiens Q14524 ENSG00000183873 |
||||
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 9 subunit alpha Organism : Homo sapiens Q15858 ENSG00000169432 |
||||
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 2 subunit alpha Organism : Homo sapiens Q99250 ENSG00000136531 |
||||
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 3 subunit alpha Organism : Homo sapiens Q9NY46 ENSG00000153253 |
||||
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 11 subunit alpha Organism : Homo sapiens Q9UI33 ENSG00000168356 |
||||
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 8 subunit alpha Organism : Homo sapiens Q9UQD0 ENSG00000196876 |
||||
|
Protein: Sodium channel alpha subunit Description: Sodium channel protein type 10 subunit alpha Organism : Homo sapiens Q9Y5Y9 ENSG00000185313 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 6456 |
| ChEMBL | CHEMBL79 |
| DrugBank | DB00281 |
| DrugCentral | 1579 |
| FDA SRS | 98PI200987 |
| Human Metabolome Database | HMDB0014426 |
| Guide to Pharmacology | 2623 |
| KEGG | C07073 |
| PDB | LQZ |
| PharmGKB | PA450226 |
| PubChem | 3676 |
| SureChEMBL | SCHEMBL17967359 |
| ZINC | ZINC000000020237 |