Submission Details
Molecule(s):
NAU-LAT-a5c7d7cb-1
Duplicate of:
ALP-POS-6747fa38-1
CC(=O)N1CCN(CC(=O)Nc2cncc3ccccc23)CC1
NAU-LAT-a5c7d7cb-2
Duplicate of:
MIC-UNK-6ab519a7-1
CC(=O)N1CCN(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1
NAU-LAT-a5c7d7cb-3
Duplicate of:
VLA-UCB-05e51b3f-2
CC(=O)N1CCN(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)CC1
O=C(Cc1cncc2ccccc12)N(Cc1ccsc1)c1cccc(Cl)c1
CC(=O)N1CCN(C(C(=O)Cc2cncc3ccccc23)c2ccc(N(C)C)cc2)CC1
CC(=O)N1CCN(C(C(=O)Nc2cc[nH]c(=O)c2)c2cccc(Cl)c2)CC1
O=C(NCCOc1cccc(Cl)c1)c1cc(=O)[nH]c2ccccc12
O=C(COc1cccc(Cl)c1)NCc1cncc2ccccc12
O=C(CCOc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12
NAU-LAT-a5c7d7cb-10
Duplicate of:
EDJ-MED-c8e7a002-11
O=C(Cc1cccc(Cl)c1)Nc1n[nH]c2ccccc12
Cn1nc(NC(=O)Cc2cccc(Cl)c2)c2ccccc21
NAU-LAT-a5c7d7cb-12
Duplicate of:
PET-UNK-e44ffd04-1
O=C(Cc1cccc(Cl)c1)Nc1nnc2ccccn12
NAU-LAT-a5c7d7cb-13
Duplicate of:
VLA-UCB-1dbca3b4-1
O=C(Cc1cccc(Cl)c1)NC1C(=O)Nc2ccccc21
O=C1CC(NC(=O)Cc2cccc(Cl)c2)c2ccccc2N1
Design Rationale:
Combining several hits fragment-wise to increase affinity and decrease lipofilicity and bioisosteric replacements.