Submission Details

EDJ-MED-e58735b6
Molecule(s):
COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1

COc1cccc(CC(=O)Nc2cnccc2C)c1

3-aminopyridine-like Ordered Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2

Cc1ccncc1NC(=O)Cc1cccc(CO)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(S(N)(=O)=O)c1

EDJ-MED-e58735b6-3

Cc1ccncc1NC(=O)Cc1cccc(S(N)(=O)=O)c1

3-aminopyridine-like Made Check Availability on Manifold View
Cc1ccncc1NC(=O)Cc1cccc(-c2cn[nH]c2)c1

EDJ-MED-e58735b6-4

Cc1ccncc1NC(=O)Cc1cccc(-c2cn[nH]c2)c1

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

Longer substituents than Cl, cf TRY-UNI-714-6 targetting displacement of water held in place by His 41 and His 164

Inspired By:
Download PDB File
Discussion:

Contributor: Ed J Griffen, MedChemica Ltd - Thu, 14 May 2020 05:48:25 +0000