Submission Details
Molecule(s):
C=CS(=O)(=O)N1N=C(c2cccs2)CC1c1ccc(OC)c(OC)c1
COc1ccc(C2CC(c3cccs3)=NN2S(=O)(=O)F)cc1OC
COc1ccc(C2CC(c3ccsc3)=NN2C(=O)CCl)cc1OC
C=C(C#N)C(=O)N1N=C(c2cccs2)CC1c1ccc(OC)c(OC)c1
C#CC(=O)N1N=C(c2cccs2)CC1c1ccc(OC)c(OC)c1
COc1ccc(C2CC(c3cccs3)=NN2C(=O)/C(C#N)=C\C2CC2)cc1OC
C=CC(=O)N1N=C(c2cccs2)CC1c1ccc(OC)c(OC)c1
COc1ccc(-c2nc(-c3cccs3)cn2C(=O)CCl)cc1OC
COc1ccc(C2CC(c3ccco3)=NN2C(=O)CCl)cc1OC
COc1ccc(C2CC(c3cncs3)=NN2C(=O)CCl)cc1OC
COc1ccc(C2CC(c3cnco3)=NN2C(=O)CCl)cc1OC
COc1ccc(C2CC(c3cnc[nH]3)=NN2C(=O)CCl)cc1OC
COc1ccc(C2CC(c3cncn3C)=NN2C(=O)CCl)cc1OC
COc1ccc(C2CN=C(c3cccs3)N2C(=O)CCl)cc1OC
Design Rationale:
MAT-POS-916a2c5a-1 has excellent biol. activity. Best of series thus far. Classical Cys warhead changes, ring changes, side group changes (thiophene positional isomer, other heterocycles); 1 paremeter at a time. If this is a viable lead molecule, optimising SAR at this point could be vital.