With the continuous development of the medical field, drugs for cancer treatment are emerging in an endless stream. Many kinds of natural plant, animal, and microbial extracts and some specific screened and synthesized drugs have been identified in vitro with anticancer biological activity. However, the application of 90% of newly developed solid drugs with anticancer effects is limited because of their low solubility and low bioavailability. On the one hand, improving the solubility and bioavailability of drugs scientifically and rationally can enhance the therapeutic effect of cancer; on the other hand, it can promote the rational use of resources. At present, great progress has been made in the ways to improve the solubility of drugs, which play an important role in anticancer effects. We will focus on the classification and application of the solubilization methods of anticancer drugs and provide an effective guide for the next drug research in this review.