^
Contact us  to learn more about
our Premium Content:  News alerts, weekly reports and conference planners
DRUG:

CH7233163

i
Other names: CH7233163
Company:
Roche
Drug class:
EGFR inhibitor
Related drugs:
over1year
Discovery of the allosteric inhibitor from actinomyces metabolites to target EGFR mutant protein: molecular modeling and free energy approach. (PubMed, Sci Rep)
Docking outcomes revealed that five compounds showed better binding affinity (- 9.074 to - 9.3 kcal/mol) than both reference drug CH7233163 (- 6.11 kcal/mol) and co-crystallized ligand Osimertinib (- 8.07 kcal/mol). Compared to the reference ligand, it also demonstrated conserved H-bond interactions with the residues MET_793 and GLN_791 with strong interaction probability. In conclusion, we have found a potential drug with no violation of the rule of three, Lipinski's rule of five, and 26 other vital parameters having great potential in medicinal and pharmaceutical industries applications and can overcome synthetic drug issues.
Journal
|
EGFR (Epidermal growth factor receptor)
|
EGFR mutation • EGFR L858R • EGFR T790M • EGFR C797S
|
Tagrisso (osimertinib) • CH7233163
4years
CH7233163 overcomes osimertinib resistant EGFR-Del19/T790M/C797S mutation. (PubMed, Mol Cancer Ther)
Furthermore, crystal structure analysis suggested that CH7233163 is a non-covalent ATP competitive inhibitor for EGFR-Del19/T790M/C797S that utilizes multiple interactions with the EGFR's αC-helix-in conformation to achieve potent inhibitory activity and mutant selectivity. Therefore, we conclude that CH7233163 is a potentially effective therapy for osimertinib resistant patients, especially in cases of EGFR-Del19/T790M/C797S.
Journal
|
EGFR (Epidermal growth factor receptor)
|
EGFR mutation • EGFR L858R • EGFR T790M • EGFR C797S • EGFR L858R + EGFR T790M • EGFR C797S + EGFR T790M + EGFR L858R • EGFR T790M + EGFR C797S • EGFR mutation + EGFR T790M • EGFR mutation + EGFR T790M + EGFR C797S
|
Tagrisso (osimertinib) • CH7233163