molecules of the month

compound 28

potent MAT2A inhibitor in vivo tool

efficacy in MTAP-mut. xenograft (50 mpk SC)

from fragment-based DD (frag. merging)

J. Med. Chem., Apr. 26, 2021

AstraZeneca, Cambridge, UK

1 min read

The AstraZeneca MAT2a allosteric inhibitor, compound 28, is a remarkably potent (25 nM in cells) in vivo tool compound generated from merging of two weak fragments (Kd = 250 μM and 6.2 μM). The molecule binds in the same site as AG-270 (above) and has a relatively uncommon quinazolinone core, which makes several polar interactions in the binding site. The identification of this highly efficient inhibitor is a great case study for fragment-based lead generation.

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