Submission Details

EDJ-MED-a364e151
Molecule(s):
O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCC2

EDJ-MED-a364e151-1

O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCC2

3-aminopyridine-like Assayed Check Availability on Manifold View
O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCCO2

EDJ-MED-a364e151-2

O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCCO2

3-aminopyridine-like Check Availability on Manifold View
O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCO2

EDJ-MED-a364e151-3

O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCO2

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

Improve on ADA-UCB-6c2cb422-1 by increasing electron density from benzo ring to improve stacking over Glu 166 & ASN 142 Also increase H-bond strength to His 163. First suggestion from Tatiana Matviyuk.

Discussion:

Contributor: Ed J Griffen, MedChemica - Thu, 23 Jul 2020 17:49:16 +0000