Water quality criteria (WQC) are developed to protect aquatic organisms. Toxicity data of local fish are essential to improve the applicability of WQC derivatives. However, the paucity of local cold-water fish toxicity data limits the development of WQC in China. Brachymystax lenok is a representative Chinese-endemic cold-water fish, which plays an important role in the characterization of metal toxicity in the water environment. Whereas, the ecotoxicological effects of copper, zinc, lead and cadmium, as well as its potential as a test species for the metal WQC, remain to be investigated. In our study, acute toxicity tests of copper, zinc, lead and cadmium were performed on this fish according to the OECD method and 96 h-LC50 values were calculated. The results showed that the 96 h-LC50 values of Cu2+, Zn2+, Pb2+ and Cd2+ for B. lenok were 134, 222, 514 and 734 μg/L, respectively. Toxicity data for freshwater species and Chinese-native species were collected and screened, and the mean acute values of each metal for each species were ranked. The results showed that the accumulation probability of zinc by B. lenok was the lowest and less than 15%. Thus, B. lenok was sensitive to Zn and can be considered as the test cold-water fish for derivation of Zn WQC. In addition, B. lenok in comparison with warm-water fish, we found that cold-water fish are not always more sensitive to heavy metals than warm-water fish. Finally, the models for toxic effects prediction of different heavy metals on the same species were constructed and evaluated the reliability of the model. We suggest that the alternative toxicity data provided by the simulations can be used to derive WQC for metals.