Submission Details
Molecule(s):
Cc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1
Cc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(c1)nc(-c1ccc(F)cc1)n2-c1ccncc1
Cc1cnc2c(c1)nc(-c1ccc(F)cc1)n2-c1ccncc1
Cc1ccc2c(-c3cccnc3)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nn2n1
Cc1ccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3cccnc3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc2c1
Cc1cnc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3cccnc3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nn2c1
Cc1ccn2c(-c3ccnc(N)c3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3ccc4[nH]ncc4c3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3ccnn3C)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3cnc(N)nc3)c(-c3ccc(F)cc3)nc2c1
Cc1ccn2c(-c3cc(C)n[nH]3)c(-c3ccc(F)cc3)nc2c1
Cc1cnc2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3ccc4[nH]ncc4c3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3ccnn3C)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3ccnc(N)c3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3cnc(N)nc3)c(-c3ccc(F)cc3)nn2c1
Cc1cnc2c(-c3cc(C)n[nH]3)c(-c3ccc(F)cc3)nn2c1
Cc1ccc2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3ccc4[nH]ncc4c3)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3ccnn3C)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3ccnc(N)c3)c(-c3ccc(F)cc3)nn2n1
Cc1ccc2c(-c3cnc(N)nc3)c(-c3ccc(F)cc3)nn2n1
Cc1cc(-c2c(-c3ccc(F)cc3)nn3nc(C)ccc23)[nH]n1
Cc1ccn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
Cc1ccn2c(-c3cccnc3)c(-c3ccc(F)cc3)nc2n1
Cc1ccn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc2n1
Cc1ccn2c(-c3ccnn3C)c(-c3ccc(F)cc3)nc2n1
Cc1ccn2c(-c3cnn(C)c3)c(-c3ccc(F)cc3)nc2n1
Cc1cn2c(-c3ccncc3)c(-c3ccc(F)cc3)nc2s1
Cc1cn2c(-c3cccnc3)c(-c3ccc(F)cc3)nc2s1
Cc1cn2c(-c3ccnc4[nH]ccc34)c(-c3ccc(F)cc3)nc2s1
Cc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
O=C(Cc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccn1
COc1ccnc(NC(=O)Cc2ccc3ccccc3c2)c1
Cc1ccnc2[nH]c(Cc3ccc4ccccc4c3)nc12
Design Rationale:
These compounds shares similarities with some of the fragments. Compounds are derived from two different cores: - 2,3-aryl-pyrazolopyridines (Similarities with fragments x0395, x1093, x0426). - 2-(naphthalen-2-yl)-N-(pyridin-2-yl)acetamides and derivatives (Similarities with fragments x0434, x0540, x0678, x0830).
Other Notes:
This is a compound library already synthesised and available for testing. Some of the compounds have shown very selective and potent effects against different human and bacteria proteins. In addition, these structures can be easily synthesized and modified for further optimizations.