Submission Details

VLA-MRT-8c78ee15
Molecule(s):
O=C1NC2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

VLA-MRT-8c78ee15-1

O=C1NC2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C1N[C@@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

VLA-MRT-8c78ee15-2

O=C1N[C@@]2(CNCc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(C1)NC(=O)N(c1cncc3ccccc13)C2=O

VLA-MRT-8c78ee15-3

CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(C1)NC(=O)N(c1cncc3ccccc13)C2=O

3-aminopyridine-like Check Availability on Manifold View
NC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(C1)NC(=O)N(c1cncc3ccccc13)C2=O

VLA-MRT-8c78ee15-4

NC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(C1)NC(=O)N(c1cncc3ccccc13)C2=O

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

Try to improve potency for spirocyclic design by exploring P4 subpocket.

Other Notes:

The first design is two step synthesis on Manifold.

Inspired By:
Discussion:

Contributor: Vladas Oleinikovas, MRT - Fri, 21 May 2021 11:20:57 +0000