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 |