Synonyms | |
Status | |
Molecule Category | UNKNOWN |
ATC | C01CE03 |
UNII | C7Z4ITI7L7 |
EPA CompTox | DTXSID8045147 |
InChI Key | ZJKNESGOIKRXQY-UHFFFAOYSA-N |
---|---|
Smiles | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C12H12N2O2S |
Molecular Weight | 248.31 |
AlogP | 1.96 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 65.72 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 17.0 |
Mechanism of Action | Action | Reference |
---|---|---|
Phosphodiesterase 3 inhibitor | INHIBITOR | BNF |
Protein: Phosphodiesterase 3 Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B Organism : Homo sapiens Q13370 ENSG00000152270 |
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Protein: Phosphodiesterase 3 Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A Organism : Homo sapiens Q14432 ENSG00000172572 |
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Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3A
|
- | 3800-14000 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3B
|
- | 3800-14000 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4A
|
- | 2900-5000 | - | - | 34 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4B
|
- | 2900-5000 | - | - | 34 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4C
|
- | 2900-5000 | - | - | 34 | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4D
|
- | 2900-5000 | - | - | 34 |
Resources | Reference |
---|---|
ChEBI | 135010 |
ChEMBL | CHEMBL249856 |
DrugBank | DB04880 |
DrugCentral | 1014 |
FDA SRS | C7Z4ITI7L7 |
Human Metabolome Database | HMDB0015599 |
Guide to Pharmacology | 9063 |
PharmGKB | PA164768794 |
PubChem | 53708 |
SureChEMBL | SCHEMBL44049 |
ZINC | ZINC000009225358 |