trifluridine   Click here for help

GtoPdb Ligand ID: 8697

Synonyms: TFT | trifluorothymidine
Approved drug
trifluridine is an approved drug (Japan, FDA (2015), EMA (2016))
Compound class: Synthetic organic
Comment: Trifluridine was originally approved by the US FDA in 1980, and was used for its antiviral effects (marketed as Vitroptic®). The drug is now being investigated for its antineoplastic (cytotoxic) effect.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 104.55
Molecular weight 296.06
XLogP 0.1
No. Lipinski's rules broken 0
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Canonical SMILES OCC1OC(CC1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Isomeric SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Japan, FDA (2015), EMA (2016))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4146 trifluridine
Synonyms Click here for help
TFT | trifluorothymidine
Database Links Click here for help
ChEMBL Ligand CHEMBL1129
DrugBank Ligand DB00432
DrugCentral Ligand 2743
GtoPdb PubChem SID 252166897
PubChem CID 6256
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UniChem Compound Search for chemical match using the InChIKey VSQQQLOSPVPRAZ-RRKCRQDMSA-N
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