Submission Details

CHR-SOS-b301fc01
Molecule(s):
O=C(CC1(C#Cc2ccccn2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-1

O=C(CC1(C#Cc2ccccn2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2cccnc2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-2

O=C(CC1(C#Cc2cccnc2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2ccncc2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-3

O=C(CC1(C#Cc2ccncc2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
Cn1cnc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)c1

CHR-SOS-b301fc01-4

Cn1cnc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)c1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2ccnnc2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-5

O=C(CC1(C#Cc2ccnnc2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2cccnn2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-6

O=C(CC1(C#Cc2cccnn2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2ccncn2)CCCCC1)Nc1cccnc1

CHR-SOS-b301fc01-7

O=C(CC1(C#Cc2ccncn2)CCCCC1)Nc1cccnc1

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

Structure-Based Design: Combination X_0678 with X_0946 vector via rigid ethynyl linker and N-heterocycles to stabilise conserved water network in X-ray crystal structures: - 2-pyridine - 3-pyridine - 4-pyridine - methyl-imidazole - pyrimidine - pyridazine

Inspired By:
Discussion:

Contributor: Chris de Graaf, Sosei Heptares - Sat, 21 Mar 2020 02:08:44 +0000