| Synonyms: | |
| Status: | Approved (1950) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01BA02 |
| UNII: | L39WTC366D |
| InChI Key | REQCZEXYDRLIBE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H21N3O |
| Molecular Weight | 235.33 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 58.36 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 1000-1000 | - | 1000-1000 | - | |
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 8-23 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 18 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 27 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Myocardial Infarction | 3 | D009203 | ClinicalTrials |
| Death, Sudden, Cardiac | 3 | D016757 | ClinicalTrials |
| Ventricular Fibrillation | 3 | D014693 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 51-06-9 |
| ChEBI | 8428 |
| ChEMBL | CHEMBL640 |
| DrugBank | DB01035 |
| DrugCentral | 2270 |
| EPA CompTox | DTXSID7023512 |
| FDA SRS | L39WTC366D |
| Human Metabolome Database | HMDB0015169 |
| Guide to Pharmacology | 4811 |
| KEGG | C07401 |
| PharmGKB | PA451108 |
| PubChem | 4913 |
| SureChEMBL | SCHEMBL15914 |
| ZINC | ZINC000001530756 |