| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | G04BX06 |
| UNII | K2J09EMJ52 |
| InChI Key | QPFYXYFORQJZEC-FOCLMDBBSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11N5 |
| Molecular Weight | 213.24 |
| AlogP | 2.66 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 89.65 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 16.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 23-67 | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 96 |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1242 |
| DrugBank | DB01438 |
| DrugCentral | 2120 |
| FDA SRS | K2J09EMJ52 |
| Human Metabolome Database | HMDB0015506 |
| Guide to Pharmacology | 7616 |
| KEGG | C07429 |
| SureChEMBL | SCHEMBL253232 |
| ZINC | ZINC000095483532 |