Submission Details

STU-CHA-545e7bd3
Molecule(s):
Cc1cc(C2(N3CCN(C(=O)CCl)CC3)CC(C(N)=O)C2)cc(=O)[nH]1

STU-CHA-545e7bd3-1

Cc1cc(C2(N3CCN(C(=O)CCl)CC3)CC(C(N)=O)C2)cc(=O)[nH]1

piperazine-chloroacetamide Check Availability on Manifold View
Cc1cc(C2(N3CCN(C(=O)CCl)CC3)CC(C(N)=O)C2)c[nH]c1=O

STU-CHA-545e7bd3-2

Cc1cc(C2(N3CCN(C(=O)CCl)CC3)CC(C(N)=O)C2)c[nH]c1=O

piperazine-chloroacetamide Check Availability on Manifold View
Design Rationale:

Modification of covalent fragment x0692 looking to occupy region filled by fragment x0395. Not docked in to crystal structure but parent example (STU-CHA-073) sees spiro cyclobutyl amide interact with Arg188. Looking to exploit possible interaction of pyridone with Gln189

Inspired By:
Discussion:

Contributor: Stuart Ward, Charles River Laboratories - Thu, 02 Apr 2020 16:54:35 +0000