Submission Details
Molecule(s):
O=C(Nn1cnc2ccccc21)C1CCOc2ccc(Cl)cc21
O=C(Nn1cnc2ccccc2c1=O)C1CCOc2ccc(Cl)cc21
O=C(Nn1cnc2ccccc21)N1CCOc2ccc(Cl)cc21
JAN-GHE-f4ca5a00-4
Duplicate of:
ERI-UCB-9c7ec71b-1
O=C(Nc1nncn1C1CC1)N1CCOc2ccc(Cl)cc21
O=C(Nn1cnc2ccccc2c1=O)N1CCOc2ccc(Cl)cc21
COc1cc(Cl)cc(OC(=O)Nc2nncn2C2CC2)c1
COc1cc(Cl)cc(OC(=O)Nn2cnc3ccccc32)c1
COc1cc(Cl)cc(OC(=O)Nn2cnc3ccccc3c2=O)c1
CCCCN(C(=O)Nn1cnc2ccccc21)c1cccc(Cl)c1
CCCCN(C(=O)Nn1cnc2ccccc2c1=O)c1cccc(Cl)c1
CCCCN(C(=O)Nc1nncn1C1CC1)c1cccc(Cl)c1
O=C(Cc1cccc(Cl)c1)Nc1nncn1C1CC1
JAN-GHE-f4ca5a00-13
Duplicate of:
BRU-CON-c4e3408a-1
Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
O=C(Cc1cccc(Cl)c1)Nn1cncc1C1CC1
CCCCC(C(=O)Nc1cnccc1C)c1cc(Cl)cc(OC2CC(=O)N2)c1
O=C(Cc1cccc(Cl)c1)Nn1cnnc1C1CC1
O=C(Cc1cccc(Cl)c1)Nn1nncc1C1CC1
CCCCC(C(=O)Nn1cncc1C1CC1)c1cccc(Cl)c1
CCCCC(C(=O)Nn1cnnc1C1CC1)c1cccc(Cl)c1
CCCCC(C(=O)Nn1nncc1C1CC1)c1cccc(Cl)c1
O=C(Nn1cncc1C1CC1)C1CCOc2ccc(Cl)cc21
O=C(Nn1cnnc1C1CC1)C1CCOc2ccc(Cl)cc21
O=C(Nn1nncc1C1CC1)C1CCOc2ccc(Cl)cc21
Design Rationale:
Follow-up SAR on the latest results. Strong focus on the search for the best aminopyridine mimic. N-aminoheterocycles seem to be more active than C-aminoheterocycles. Imo every heterocycle should be benchmarked on the meta-chlorophenyl acetic acid. The best one from that list should than be synthesized with all more complex substituents (b-lactam, etc...) knowing which part of the JAG-UCB hit is causing the immense increase in affinity (maybe both) is key to the design of better analogues.