Submission Details

HOL-KAN-545e4d08

Molecule(s):

O=C(c1cc(-n2nc3ccc(O)cc3n2)c(O)cc1O)c1cc(-n2nc3ccc(O)cc3n2)c(O)cc1O

HOL-KAN-545e4d08-1

O=C(c1cc(-n2nc3ccc(O)cc3n2)c(O)cc1O)c1cc(-n2nc3ccc(O)cc3n2)c(O)cc1O

Check Availability on Manifold View

Design Rationale:

Pharmacophore screening based on fragments, followed by 3D filtering. Manually changed to increase solubility and improve hydrogen bonding

Inspired By:

Cc1cc(CN(C)C(=O)NC2CC2)no1

AAR-POS-d2a4d1df-9

O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

Discussion:

Contributor: Ho Leung Ng, Kansas State University - Thu, 09 Apr 2020 13:16:06 +0000