Submission Details

RAL-THA-3d7a794f
Molecule(s):
O=C(Nc1cncn1C1CC1)C1CCOc2ccc(Cl)cc21

RAL-THA-3d7a794f-1

O=C(Nc1cncn1C1CC1)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CC(C)n1cncc1NC(=O)C1CCOc2ccc(Cl)cc21

RAL-THA-3d7a794f-2

CC(C)n1cncc1NC(=O)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
CCn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21

RAL-THA-3d7a794f-3

CCn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
Cn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21

RAL-THA-3d7a794f-4

Cn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21

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

Expansion/bioisosteric replacements/scaffold hopping of an early lead JAG-UCB-a3ef7265-20. Increase basicity of N atom that H-bonds to His 163. Replace cyclopropyl with small alkyl, if needed, in case the corresponding c-Pr monomer is unavailable.

Inspired By:
Discussion:

Contributor: Ralph Robinson, Thames Pharma Partners - Wed, 24 Jun 2020 21:15:36 +0000