Anticancer agent 356

Anticancer agent 356 (compound 3) (12.5-100 μg/mL; 48 h) significantly inhibits the proliferation of PC-3 and MCF-7 tumor cells, with IC₅₀ values of 15.7 μg/mL and 37.5 μg/mL, respectively; its IC₅₀ against normal MDCK cells is 47.2 μg/mL, with a selectivity index of 3 for PC-3 cells and 1.3 for MCF-7 cells^[1].
Anticancer agent 356 exhibits strong electron-accepting and electrophilic properties, and carries multiple polar functional groups that facilitate favorable biomolecular interactions^[1].
Anticancer agent 356 forms an extremely stable complex with the EGFR tyrosine kinase domain via multi-site interactions according to molecular docking results (PDB ID: 1M17); it displays the strongest predicted binding affinity toward the KRIT1-Rap1-HEG1 ternary complex (PDB ID: 4HDQ) and achieves stable multi-site anchoring in the binding pocket; additionally, it generates the most thermodynamically stable complex with the EF-Pyl-GMPPNP complex (PDB ID: 2ELF)^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.