Trade Names: | |
Synonyms: | |
Status: | Approved (1964) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C03DB02 |
UNII: | WS821Z52LQ |
InChI Key | FNYLWPVRPXGIIP-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H11N7 |
Molecular Weight | 253.27 |
AlogP | 0.83 |
Hydrogen Bond Acceptor | 7.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 129.62 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 19.0 |
Primary Target | |
---|---|
ENaCαβγ |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
AGC protein kinase group
AGC protein kinase RSK family
AGC protein kinase p70 subfamily
|
- | - | - | - | 95 | |
Enzyme
Kinase
Protein Kinase
AGC protein kinase group
AGC protein kinase SGK family
|
- | - | - | - | 94 | |
Enzyme
Kinase
Protein Kinase
STE protein kinase group
STE protein kinase STE20 family
STE protein kinase PAKA subfamily
|
- | - | - | - | 100 | |
Enzyme
Oxidoreductase
|
- | - | - | 3400 | 21 | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 70 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Coronary Disease | 3 | D003327 | ClinicalTrials |
Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
Death, Sudden, Cardiac | 3 | D016757 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
Atherosclerosis | 3 | D050197 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 396-01-0 |
ChEBI | 9671 |
ChEMBL | CHEMBL585 |
DrugBank | DB00384 |
DrugCentral | 2728 |
EPA CompTox | DTXSID6021373 |
FDA SRS | WS821Z52LQ |
Human Metabolome Database | HMDB0001940 |
Guide to Pharmacology | 4329 |
PDB | DX2 |
PharmGKB | PA451752 |
PubChem | 5546 |
SureChEMBL | SCHEMBL40707 |
ZINC | ZINC000000120286 |