Platinum preparations are widely used in the treatment of cancer patients, as they have an antitumor effect. However, the use of such drugs is limited due to their high toxicity. In this study, the goal was to reveal the anticancer activity of a new complex synthesized compound based on palladium and mexidol (2-ethyl-6-methyl-3-hydroxypyridine ammonium tetrachloropalladic acid), which has low toxicity. The interaction of palladium metal complexes with EGFR kinase protein (PDB ID: 2ITO) and their activity against these proteins were investigated. First, the palladium metal complex and protein have interacted with the HEX program. Afterward, PLIP analysis was performed to examine the interaction of metal complexes with protein in detail. Afterward, a Swiss ADME/T analysis of this palladium complex was performed. According to the Hodge and Sterner toxicity scale, the studied compound belongs to the group of moderately toxic substances that are allowed in medicine. As a result of the conducted calculations, the authors commented on the activity of the Pd metal complex. The interaction of the pd metal complex with the EFGR kinase protein was examined by PLIP analysis and its movements in human metabolism were predicted by ADME analysis of the Pd metal complex.