| Trade Names | |
| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | A02BC03 |
| UNII | 0K5C5T2QPG |
| EPA CompTox | DTXSID4023200 |
| InChI Key | MJIHNNLFOKEZEW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H14F3N3O2S |
| Molecular Weight | 369.37 |
| AlogP | 3.52 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 67.87 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 25.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Potassium-transporting ATPase inhibitor | INHIBITOR | PubMed PubMed DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | - | - | - | 86 | |
|
Enzyme
Hydrolase
|
- | 398.11 | - | - | - | |
|
Enzyme
|
- | 398.11 | - | - | 38 | |
|
Other cytosolic protein
|
- | - | - | 2.5 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | -75.7-100.47 | |
|
Transporter
Primary active transporter
P-type ATPase
Hydrogen potassium ATPase
|
- | 398.11 | - | - | - |
|
Protein: Potassium-transporting ATPase Description: Potassium-transporting ATPase alpha chain 1 Organism : Homo sapiens P20648 ENSG00000105675 |
||||
|
Protein: Potassium-transporting ATPase Description: Potassium-transporting ATPase subunit beta Organism : Homo sapiens P51164 ENSG00000186009 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 6375 |
| ChEMBL | CHEMBL480 |
| DrugBank | DB00448 |
| DrugCentral | 1547 |
| FDA SRS | 0K5C5T2QPG |
| Human Metabolome Database | HMDB0005008 |
| Guide to Pharmacology | 7208 |
| KEGG | D00355 |
| PharmGKB | PA450180 |
| PubChem | 3883 |
| SureChEMBL | SCHEMBL22365 |
| ZINC | ZINC03830986 |