Submission Details

EDJ-MED-50011917
Molecule(s):
O=C(Cc1cc(Cl)cc(CC2CC(=O)N2)c1)Nc1cncc2ccccc12

EDJ-MED-50011917-1

O=C(Cc1cc(Cl)cc(CC2CC(=O)N2)c1)Nc1cncc2ccccc12

3-aminopyridine-like Assayed Check Availability on Manifold View
Cc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1OC1CC(=O)N1

EDJ-MED-50011917-2

Cc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1OC1CC(=O)N1

3-aminopyridine-like Check Availability on Manifold View
COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1CC1CC(=O)N1

EDJ-MED-50011917-3

COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1CC1CC(=O)N1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

O linked lactams with ortho substituent designs to stabilised the out of plane conformation as seen in crystal structure Mpro-10789. C linked lactams designed to prefer out of plane conformation and to be more metabolically stable.

Inspired By:
Discussion:

Contributor: Ed J Griffen, MedChemica Ltd - Fri, 18 Sep 2020 17:21:22 +0000