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 |