| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | D892HFI3XA |
| InChI Key | NYMGNSNKLVNMIA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.22 |
| AlogP | 0.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 54.02 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 13.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 837-7570 | - | - | - |
| Resources | Reference |
|---|---|
| ChEBI | 5958 |
| ChEMBL | CHEMBL92401 |
| DrugBank | DB04818 |
| DrugCentral | 1480 |
| EPA CompTox | DTXSID5023168 |
| FDA SRS | D892HFI3XA |
| KEGG | C11777 |
| PubChem | 3748 |
| SureChEMBL | SCHEMBL4153 |
| ZINC | ZINC000000001579 |