Submission Details
Molecule(s):
COc1ccccc1OCCNC(=O)c1cc(=O)ccn1C
Design Rationale:
Move pyridone nitrogen of BEN-DND-7e92b6ca-1 will increase the hydrogen bond basicity of the carbonyl oxygen and the methyl group on nitrogen will help push the pyridone ring and amide out of coplanarity toward the conformation observed for EDJ-MED-6af13d92-3 in the X11294 crystal structure.
Other Notes:
A bulkier group (e.g. cyclopropyl) could be subsituted for the N-methyl of this design which might be expected to stabilize the bound conformation to a greater extent.