Submission Details

STU-CHA-464c0256
Molecule(s):
NS(=O)(=O)CCNc1ncccc1CN1CCN(C(=O)CCl)CC1

STU-CHA-464c0256-1

NS(=O)(=O)CCNc1ncccc1CN1CCN(C(=O)CCl)CC1

piperazine-chloroacetamide Ordered Check Availability on Manifold View
Design Rationale:

Modification of covalent fragment x0692 and x0305. Not docked in to crystal structure. Modest docking score for parent N-Et amine-pyridine. Looking for sulfonamide to make interactions with Glu166 or Gln189

Inspired By:
Discussion:

Contributor: Stuart Ward, Charles River Laboratories - Thu, 02 Apr 2020 17:00:56 +0000