TRIFLURIDINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC S01AD02
UNII RMW9V5RW38
EPA CompTox DTXSID4046602

Structure

InChI Key VSQQQLOSPVPRAZ-RRKCRQDMSA-N
Smiles O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F
InChI
InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11F3N2O5
Molecular Weight 296.2
AlogP -0.8
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 20.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR ISBN PubMed PubMed PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 64.99-84.35
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus sabaeus
- - - - 63-100
Cricetulus griseus
- - - - 64.99-84.35
Hepatitis B virus
- - - - 0
Mus musculus
- 20 - - 100

Related Entries

Cross References

Resources Reference
ChEBI 75179
ChEMBL CHEMBL1129
DrugBank DB00432
DrugCentral 2743
FDA SRS RMW9V5RW38
Human Metabolome Database HMDB0014576
Guide to Pharmacology 8697
KEGG D00391
PharmGKB PA451775
PubChem 6256
SureChEMBL SCHEMBL3479
ZINC ZINC000003842753
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