Docking, synthesis and cytotoxicity test on human breast cancer cell line (T47D) of N-(Allylcarbamothioyl)benzamide

Tri Widiandani, Lusiana Arifianti, Siswandono

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11 Citations (Scopus)


We investigated a modification of the chemical structure in order to enhance the cytotoxicity test on human breast cancer cell lines. In this study, new compound had been found by reacting allylthiourea with benzoyl chloride. The molecular docking of this compound on EGFR (1M17.pdb) using MVD v5.5 showed that the Rerank Scores were lower than 5-fluorouracyl (5FU). It can be predicted that the compound has a higher biological activity. The synthesized of new compound N-(allylcarbamothioyl)benzamide (BATU) was performed through nucleophilic substitution mechanism of the Schotten Baumann method by using triethylamine as a base. The structure of the newly synthesized compound was confirmed by TLC, IR,1H NMR,13C NMR. The in vitro study of cytotoxicity test was evaluated on human breast cancer cell lines (T47D) using MTT assay. The result showed that this compound demonstrated more potent compared to 5-fluorouracil as the commercial anticancer drug, with respective IC50 were 56.5 μg/mL (BATU) and 132.4 μg/mL (5FU). It can be concluded that the synthesized compound can be further developed as a potential anticancer drug.

Original languageEnglish
Pages (from-to)372-376
Number of pages5
JournalInternational Journal of Pharmaceutical and Clinical Research
Issue number5
Publication statusPublished - 2016


  • 1M17
  • Docking
  • N-(Allylcarbamothioyl)benzamide
  • Synthesis
  • T47D


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