Submission Details

CHR-SOS-54d5cf3e
Molecule(s):
O=C(CC1(C#CC2CCNC2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-1

O=C(CC1(C#CC2CCNC2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#CC2CCCN2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-2

O=C(CC1(C#CC2CCCN2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#CC2CCCNC2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-3

O=C(CC1(C#CC2CCCNC2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#CC2CCCCN2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-4

O=C(CC1(C#CC2CCCCN2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
Nc1nccc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)n1

CHR-SOS-54d5cf3e-5

Nc1nccc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)n1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2c[nH]cn2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-6

O=C(CC1(C#Cc2c[nH]cn2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(CC1(C#Cc2cc[nH]n2)CCCCC1)Nc1cccnc1

CHR-SOS-54d5cf3e-7

O=C(CC1(C#Cc2cc[nH]n2)CCCCC1)Nc1cccnc1

3-aminopyridine-like Check Availability on Manifold View
Cc1cc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)n[nH]1

CHR-SOS-54d5cf3e-8

Cc1cc(C#CC2(CC(=O)Nc3cccnc3)CCCCC2)n[nH]1

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

Structure-Based Design: Combination of X_0678 with vector X_0946 via rigid ethynyl linker and basic moieties to interact with backbone carbonyl oxygen atoms R188/T190: - pyrrolidines - piperidines - aminopyrimidine - imidazole - pyrazines

Inspired By:
Discussion:

Contributor: Chris de Graaf, Sosei Heptares - Sat, 21 Mar 2020 02:28:39 +0000