5-Bromo-4-chloro-2-(trifluoromethyl)quinazoline
CAS Number:
2089311-03-3
Molecular Formula:
C9H3BrClF3N2
Drugging the undruggable: a computational chemist's view of KRASG12C
Literature Information
Publication Date
2021-03-29
DOI
10.1039/D1MD00055A
Impact Factor
0
Authors
Michael S. Bodnarchuk, Doyle J. Cassar, Jason G. Kettle, Graeme Robb, Richard A. Ward
View Original
Abstract
In recent years, the emergence of targeted covalent inhibitors which bind to the G12C mutant of KRAS have offered a solution to this previously intractable target. Inhibitors of KRASG12C tend to be structurally complex, displaying features such as atropisomerism, chiral centres and a reactive covalent warhead. Such molecules result in lengthy and challenging syntheses, and as a consequence critical decisions need to be made at the design level to maximise the chances of success. Here we take a retrospective look into how computational chemistry can help guide and prioritise medicinal chemistry efforts in the context of a series of conformationally restricted tetracyclic quinolines.
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1045858-17-0
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