Although inhibiting PKM2 and glycolysis has been explored as an effective approach for cancer therapy, screening for novel PKM2 inhibitors and comparing their anticancer effects, thereby clarifying their action mechanisms, have not yet been reported; therefore, we found a specific PKM2 inhibitor called compound 3h, evaluated its anticancer effects on prostate cancer cells, and performed molecular docking to further understand the mechanism of PKM2 inhibition in this study. The gene discussed is PKM; the disease is prostate cancer.