Submission Details
Molecule(s):
NAU-LAT-e1818702-1
Duplicate of:
JAN-GHE-f4ca5a00-12
O=C(Cc1cccc(Cl)c1)Nc1nncn1C1CC1
O=C(CCc1cccc(Cl)c1)Nc1nncn1C1CC1
O=C(/C=C/c1cccc(Cl)c1)Nc1nncn1C1CC1
O=C(Nc1nncn1C1CC1)C(F)(F)c1cccc(Cl)c1
O=C(Nc1nncn1C1CC1)C1(c2cccc(Cl)c2)CCOCC1
O=C(Nc1nncn1C1CC1)C1(c2cccc(Cl)c2)CCCCC1
NAU-LAT-e1818702-7
Duplicate of:
JAG-UCB-a3ef7265-17
Cn1cnnc1NC(=O)Cc1cccc(Cl)c1
O=C(Cc1cccc(Cl)c1)Nc1nncn1-c1ccccc1
O=C(Cc1cccc(Cl)c1)Nc1nncn1Cc1ccccc1
NAU-LAT-e1818702-10
Duplicate of:
JAN-GHE-5a013bed-7
O=C(Cc1cccc(Cl)c1)Nc1nncs1
O=C(NCc1nncn1C1CC1)c1cccc(Cl)c1
Design Rationale:
JAG-UCB-a3ef7265-20 amino triazole moiety ovarlays perfectly (Fragalysis) with 3-aminopyridine moiety in multiple hits (<30 uM). This suggests that potency could be improved by changing 3-aminopyridine to amino triazole in urea/amide type (O=C(CC1=CC=CC=C1)NC2=CN=CC=C2) compounds. Some compounds for a small SAR is proposed.
Other Notes:
All compounds should be available in Enamine REAL.