Synonyms: | |
Status: | Approved |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | C01CX08 |
UNII: | C6T4514L4E |
InChI Key | WHXMKTBCFHIYNQ-SECBINFHSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C14H12N6O |
Molecular Weight | 280.29 |
AlogP | 1.36 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 113.43 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 21.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3A
|
- | 8 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3B
|
- | 8 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Heart Failure | 3 | D006333 | ClinicalTrials |
Heart Failure | 3 | D006333 | ClinicalTrials |
Amyotrophic Lateral Sclerosis | 3 | D000690 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
ST Elevation Myocardial Infarction | 3 | D000072657 | ClinicalTrials |
Shock | 3 | D012769 | ClinicalTrials |
Coronary Disease | 2 | D003327 | ClinicalTrials |
Shock, Septic | 2 | D012772 | ClinicalTrials |
Hernias, Diaphragmatic, Congenital | 2 | D065630 | ClinicalTrials |
Acute Kidney Injury | 2 | D058186 | ClinicalTrials |
Muscular Diseases | 2 | D009135 | ClinicalTrials |
Ischemic Attack, Transient | 2 | D002546 | ClinicalTrials |
Stroke | 2 | D020521 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 141505-33-1 |
ChEBI | 50567 |
ChEMBL | CHEMBL2051955 |
DrugBank | DB00922 |
DrugCentral | 1576 |
EPA CompTox | DTXSID9046445 |
FDA SRS | C6T4514L4E |
Human Metabolome Database | HMDB0015058 |
PharmGKB | PA164749138 |
PubChem | 3033825 |
SureChEMBL | SCHEMBL83243 |
ZINC | ZINC000003915645 |