Submission Details
Molecule(s):
O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
HAO-BIO-c9aafde3-2
Duplicate of:
DAR-DIA-0f7b7cd9-1
O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1
CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O
N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1
O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)cc1
HAO-BIO-c9aafde3-9
Duplicate of:
LON-WEI-1908424e-14
Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1
O=c1c2cc(-c3ccccc3)sc2nc(O)n1-c1cccc(Cl)c1
Design Rationale:
These 11 compounds were predicted by protein structure-based virtual screening of a library composing of market drugs + compounds in clinical trials, followed by human inspection. Multiple covid19 proteins were targeted and each of these 11 compounds was found as top hit for both Mpro and at least another covid19 protein.
Other Notes:
All the 11 compounds are purchasable (in-stock) from Molport. Can we have them ship directly from Molport to moonshot? If yes, please provide moonshot shipping address.