Based on high-performance liquid chromatography-mass spectrometry (HPLC-MS) and reversed-phase high-performance liquid chromatography-mass spectrometry (RPLC-MS), the changes of drug metabolism and endogenous metabolites in normal rats and tumor model rats were studied by drug metabonomics. The changes of vital signs were used to evaluate the toxicity and pharmacological effects of the new anti-cancer candidate ST on rats, and the differences of endogenous metabolites caused by ST were analyzed by multivariate statistical method. The changes of endogenous metabolites related to ST toxicity and pharmacological effects were analyzed. Studies have shown that the correlation analysis of metabonomics based on metabonomics and changes of animal signs is helpful to screen endogenous metabolites related to drug toxicity and pharmacological effects.