| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | R03DC04 |
| UNII | M0TTH61XC5 |
| EPA CompTox | DTXSID7049007 |
| InChI Key | ZJVFLBOZORBYFE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.31 |
| AlogP | 3.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 34.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 17.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 6.03 | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4A
|
900 | 54-54 | - | - | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4B
|
- | 65-65 | - | - | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4C
|
- | 239-239 | - | - | - | |
|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4D
|
- | 166-166 | - | - | - |
|
Protein: Phosphodiesterase 5A Description: cGMP-specific 3',5'-cyclic phosphodiesterase Organism : Homo sapiens O76074 ENSG00000138735 |
||||
|
Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A Organism : Homo sapiens P27815 ENSG00000065989 |
||||
|
Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B Organism : Homo sapiens Q07343 ENSG00000184588 |
||||
|
Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C Organism : Homo sapiens Q08493 ENSG00000105650 |
||||
|
Protein: Phosphodiesterase 4 Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D Organism : Homo sapiens Q08499 ENSG00000113448 |
||||
|
Protein: Phosphodiesterase 3A Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A Organism : Homo sapiens Q14432 ENSG00000172572 |
||||
|
Protein: Phosphodiesterase 10A Description: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Organism : Homo sapiens Q9Y233 ENSG00000112541 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 31684 |
| ChEMBL | CHEMBL19449 |
| DrugBank | DB05266 |
| DrugCentral | 1406 |
| FDA SRS | M0TTH61XC5 |
| Human Metabolome Database | HMDB0015614 |
| Guide to Pharmacology | 7399 |
| PDB | AVL |
| PharmGKB | PA165958351 |
| PubChem | 3671 |
| SureChEMBL | SCHEMBL30390 |
| ZINC | ZINC000000004234 |