Submission Details
Molecule(s):
O=C(Oc1cncc(Cl)c1)c1ccco1
O=C(Oc1cncc(Cl)c1)c1cc2ccccc2o1
O=C(Oc1cncc(Cl)c1)c1cc2ccccc2[nH]1
O=C(Oc1cncc(Cl)c1)c1cc2ccccc2s1
O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1
NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2ccccc2c1
Cc1cc(Cl)c(S(=O)(=O)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1C
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O
C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C
Design Rationale:
We upload hits from several series of lead compounds. Hits are based on our lab internal AI drug discovery pipeline. All predicted as Mpro inhibitors with the activity of 1 uM or better. Some of them are routinely synthesizable (1-2 step) or already in Enamine REAL. Mix of covalent and non-covalent binders
Other Notes:
N/A