Trade Names | |
Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | L01BC09 |
UNII | 039LU44I5M |
EPA CompTox | DTXSID3023057 |
InChI Key | ODKNJVUHOIMIIZ-RRKCRQDMSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C9H11FN2O5 | |
Molecular Weight | 246.19 | |
AlogP | -1.68 | |
Hydrogen Bond Acceptor | 6.0 | |
Hydrogen Bond Donor | 3.0 | |
Number of Rotational Bond | 2.0 | |
Polar Surface Area | 104.55 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 1.0 | |
Heavy Atoms | 17.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Transferase
|
- | 0-59000 | - | - | - | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 109 | ||
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC28 and SLC29 families of nucleoside transporters
SLC28 Na+-coupled nucleoside transport family
|
- | - | - | - | 17 |
Resources | Reference | |
---|---|---|
ChEBI | 60761 | |
ChEMBL | CHEMBL917 | |
DrugBank | DB00322 | |
DrugCentral | 1184 | |
FDA SRS | 039LU44I5M | |
Human Metabolome Database | HMDB0014467 | |
Guide to Pharmacology | 4801 | |
KEGG | C11736 | |
PubChem | 5790 | |
SureChEMBL | SCHEMBL4424 | |
ZINC | ZINC000003813010 |