Submission Details

Molecule(s):
O=c1c(-c2cccnc2)c[nH]cc1-c1ccccn1

ROM-UNK-ef52a3c9-1

O=c1c(-c2cccnc2)c[nH]cc1-c1ccccn1

CCN(CC)C(=O)CC1CNCCN1Cc1ccccn1

ROM-UNK-ef52a3c9-2

CCN(CC)C(=O)CC1CNCCN1Cc1ccccn1

CCc1cnc2[nH]cc(CCNC(=O)C3CCOCC3)c2c1

ROM-UNK-ef52a3c9-3

CCc1cnc2[nH]cc(CCNC(=O)C3CCOCC3)c2c1

CCc1cnc2[nH]cc(CCNC(=O)c3ccccc3)c2c1

ROM-UNK-ef52a3c9-4

CCc1cnc2[nH]cc(CCNC(=O)c3ccccc3)c2c1


Design Rationale:

Fragments were grown until their binding affinity, estimated using SeeSAR, was in the nanomolar range. Only the structure for which the synthesis seems rapid were selected.

Inspired By:
Discussion: