Submission Details

THO-SYG-cc9e9a11
Molecule(s):
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1

Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2

Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1Cc1ccccn1

THO-SYG-cc9e9a11-3

Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1Cc1ccccn1

3-aminopyridine-like Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1-c1ccccn1

THO-SYG-cc9e9a11-4

Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1-c1ccccn1

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1ccccc1Cc1ccccn1)Nc1cnccc1CO

THO-SYG-cc9e9a11-5

O=C(Cc1ccccc1Cc1ccccn1)Nc1cnccc1CO

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1ccccc1-c1ccccn1)Nc1cnccc1CO

THO-SYG-cc9e9a11-6

O=C(Cc1ccccc1-c1ccccn1)Nc1cnccc1CO

3-aminopyridine-like Check Availability on Manifold View
N#Cc1ccc(Cc2ccccn2)c(CC(=O)Nc2cnccc2CO)c1

THO-SYG-cc9e9a11-7

N#Cc1ccc(Cc2ccccn2)c(CC(=O)Nc2cnccc2CO)c1

3-aminopyridine-like Check Availability on Manifold View
N#Cc1ccc(-c2ccccn2)c(CC(=O)Nc2cnccc2CO)c1

THO-SYG-cc9e9a11-8

N#Cc1ccc(-c2ccccn2)c(CC(=O)Nc2cnccc2CO)c1

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

Based on fragment 107, a Ph ring added to fill the lipophilic pocket and another Py ring for interaction with His41

Inspired By:
Discussion:

Contributor: Thomas Baikstis, Sygnature Discovery - Fri, 15 May 2020 18:23:26 +0000