Topic automatically created for discussing the designs at:
https://covid.postera.ai/covid/submissions/EDJ-MED-968bafd9
Hi @edgriffen
Excellent news on the funding!
You might also consider PET-UNK-8f269638-1, the [C#N>>Cl] analog of ALP-POS-c56c1477-3 since tertiary cyclopropyl chlorides are resistant to nucleophilic attack. Despite its greater lipophilicity there is potential for increased potency since there is likely to be contact (see pdb file associated with PET-UNK-8f269638 submission) between polar ligand atoms and non-polar protein surface for both ALP-POS-c56c1477-3 (cyano N) and EDJ-MED-968bafd9-1 (methoxy O). I would regard an aliphatic methoxy ether at the periphery of a molecular structure to be a metabolic liability which the chloro analog would address. Looks like the fluoro analog MAT-POS-5cd9ea36-9 has been ordered (may even have been assayed already) and I’d assume that [F>>Cl] analog for the appropriate reagent is as synthetically accessible.