Submission: NAU-LAT-1b663c1e

NAU-LAT-1b663c1e

Molecule(s):

NAU-LAT-1b663c1e-1

O=C1Nc2cc(Br)ccc2/C1=N/NC(=O)c1cc(Cl)ccc1O

Check Availability on Manifold View

NAU-LAT-1b663c1e-2

O=C1Nc2c(ccc(Cl)c2Cl)/C1=N/NC(=O)c1ccc(O)c(Cl)c1

Check Availability on Manifold View

NAU-LAT-1b663c1e-3

O=C1Nc2cc(Br)ccc2/C1=N/NC(=O)c1ccc(O)c(Cl)c1

Check Availability on Manifold View

NAU-LAT-1b663c1e-4

O=C1Nc2ccc(Br)cc2/C1=N/NCc1ccc(Cl)cc1

Check Availability on Manifold View

NAU-LAT-1b663c1e-5

O=C1Nc2ccc(Br)cc2/C1=N/NCc1ccc(Br)cc1

Check Availability on Manifold View

$O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21$

NAU-LAT-1b663c1e-6

O=C(COc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21

Check Availability on Manifold View

NAU-LAT-1b663c1e-7

O=C1Nc2ccc(Br)cc2/C1=N/NC(=S)Nc1cccc(Br)c1

Check Availability on Manifold View

Design Rationale:

Created a simple pharmacophore model from actives JAG-UCB-a3ef7265-20, ADA-UCB-6c2cb422-1, LOR-NEU-c8f11034-2, LOR-NEU-c8f11034-5 using LigandScout and screened ~5k compounds (similar to early hits) from the Enamine REAL. Submitted compounds with the highest pharmacophore score.