tegafur   Click here for help

GtoPdb Ligand ID: 10513

Synonyms: Florafur® | FT-207 | FT207 | Ftorafur®
Approved drug
tegafur is an approved drug (EMA (2011))
Compound class: Synthetic organic
Comment: Like capecitabine and floxuridine, tegafur is a prodrug of the chemotherapeutic agent 5-fluorouracil. It is orally active. The INN specifies tegafur as a racemic mixture of enantiomers. We show the molecule without specified stereochemistry to represent the mixture.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 64.09
Molecular weight 200.06
XLogP 0.61
No. Lipinski's rules broken 0
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Canonical SMILES O=c1[nH]c(=O)n(cc1F)C1CCCO1
Isomeric SMILES O=c1[nH]c(=O)n(cc1F)C1CCCO1
InChI InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
Bioactivity Comments
We have been unable to find publicly available bioactivity data for this drug at a defined molecular target, and have therefore not tagged a primary drug target. Tegafur inhibits growth of drug-sensitive HT-29 human colon cancer cells with an IC50 of 201 μM [1]. In this same study it inhibited growth of 4T1 breast carcinoma lung metastases and growth of HT-29 tumours in a mouse xenograft
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
Targets where the ligand is described in the comment field
Target Comment