In today's leading pharmaceutical research and development city, accurate and efficient data support has become the key to promote innovation. Anticancer drug compounds are some of the drugs used to fight malignant tumors, can effectively promote the development of innovative drugs and generic drugs. As an auxiliary tool, the anticancer drug compound database can screen many lead anticancer drugs and gather their core information, including systematic target analysis, activity analysis and mechanism research, so as to provide a research basis for the research and development of anti-malignant drugs, reduce the cost of developing cancer drugs and improve the survival rate of cancer patients. To date, the anticancer drug Compound database contains 94 lead anticancer drug compounds, including target classification based on the mechanism of drug action of various receptors, enzymes, ion channels, transporters, immune system and genes. To a certain extent, the database can promote the innovation and development of new drugs, help improve research and development efficiency, reduce procurement and testing costs, so as to achieve sustainable research.