Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/PET-UNK-8922bd3c
As noted, the objective of the PET-UNK-8922bd3c-1 design is to provide an SAR reference. Inhibitors TRY-UNI-714a760b-6 and EDJ-MED-49816e9b-1 are related by amide reversal and the two inhibitors are essentially equipotent. Comparison of IC50s for the submission and ADA-UCB-6c2cb422-1 would address the question of whether the benefits of the isoquinoline substituent are maintained when the amide is reversed. A hypothetical observation that the designed compound is significantly less potent than ADA-UCB-6c2cb422-1 would imply that isoquinoline is less beneficial (versus 4-methylpyridine) in the reversed amides and this would strengthen the case for synthesis of designs such as PET-UNK-55f647aa-3.
Additionally, the PET-UNK-8922bd3c-1 design would enable the effects of structural elaboration in compounds such as MAT-POS-6344a35d-1 and ERI-UCB-ce40166b-8 to be assessed.
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