Marcos Couto, María Fernanda García, Catalina Alamón, Prof. Mauricio Cabrera, Prof. Pablo Cabral, Prof. Alicia Merlino, Prof. Francesc Teixidor, Prof. Hugo Cerecetto, Prof. Clara Viñas. Chem. Eur. J. doi:10.1002/chem.201705181
New 1,7-closo-carboranylanilinoquinazoline hybrids have been identified as EGFR inhibitors, one of them with higher affinity than the parent compound erlotinib. The comparative docking analysis with compounds bearing bioisoster-substructures, demonstrated the relevance of the 3D aromatic-boron-rich moiety for interacting into the EGFR ATP binding region. The capability to accumulate in glioma cells, the ability to cross the blood–brain barrier and the stability on simulated biological conditions, render these molecules as lead compounds for further structural modifications to obtain dual action drugs to treat glioblastoma.