FLUOROURACIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01BC02
UNII U3P01618RT
EPA CompTox DTXSID2020634

Structure

InChI Key GHASVSINZRGABV-UHFFFAOYSA-N
Smiles O=c1[nH]cc(F)c(=O)[nH]1
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3FN2O2
Molecular Weight 130.08
AlogP -0.8
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 65.72
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 9.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 20-600 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 86.84-91.17
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 0.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus sabaeus
- 200 - - -
Cricetulus griseus
- - - - 86.84-91.17
Homo sapiens
230 0.0027-980 - - 0-90.72
Mucor mucedo
- - - - 61-75
Mus musculus
310 0.0011-970 - - 0-100
Rattus norvegicus
- 660 - - -
Xenopus laevis
- - - - 47

Target Conservation

Protein: Thymidylate synthase
Description: Thymidylate synthase
Organism : Homo sapiens
P04818 ENSG00000176890

Cross References

Resources Reference
ChEBI 46345
ChEMBL CHEMBL185
DrugBank DB00544
DrugCentral 26
FDA SRS U3P01618RT
Human Metabolome Database HMDB0014684
Guide to Pharmacology 4789
KEGG C07649
PDB URF
PharmGKB PA128406956
PubChem 3385
SureChEMBL SCHEMBL3646
ZINC ZINC000038212689
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