5-fluorouracil   Click here for help

GtoPdb Ligand ID: 4789

Synonyms: Adrucil® | Carac®
Approved drug PDB Ligand
5-fluorouracil is an approved drug (FDA (1962))
Compound class: Synthetic organic
Comment: Fluoroacil is the active metabolite of the prodrugs capecitabine and floxuridine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 65.72
Molecular weight 130.02
XLogP -0.02
No. Lipinski's rules broken 0
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Canonical SMILES Fc1c[nH]c(=O)[nH]c1=O
Isomeric SMILES Fc1c[nH]c(=O)[nH]c1=O
InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
Bioactivity Comments
We have been unable to find publicly available bioactivity data for this drug at its proposed molecular target (thymidylate synthase) to substantiate its MMOA, and have therefore not tagged a primary drug target.
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Sodium-dependent nucleobase transporter 1
Targets where the ligand is described in the comment field
Target Comment