Submission Details

Molecule(s):
O=C1Nc2c(Br)cccc2C1=O

LOR-NEU-c8f11034-1

O=C1Nc2c(Br)cccc2C1=O

O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(Br)cccc21

LOR-NEU-c8f11034-2

O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(Br)cccc21

O=C1Nc2ccc(Br)cc2C1=O

LOR-NEU-c8f11034-3

O=C1Nc2ccc(Br)cc2C1=O

O=C1Nc2cc(Br)ccc2C1=O

LOR-NEU-c8f11034-4

O=C1Nc2cc(Br)ccc2C1=O

O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21

LOR-NEU-c8f11034-5

O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccccc21

NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

LOR-NEU-c8f11034-6

NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

Cc1cc(Br)cc2c1N(CCBr)C(=O)C2=O

LOR-NEU-c8f11034-7

Cc1cc(Br)cc2c1N(CCBr)C(=O)C2=O

CC1(C)CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

LOR-NEU-c8f11034-8

CC1(C)CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

O=C1C(=O)N(Cc2ccccc2)c2cc(Br)ccc21

LOR-NEU-c8f11034-9

O=C1C(=O)N(Cc2ccccc2)c2cc(Br)ccc21


Design Rationale:

Isatins have been shown to inhibit SARS (doi:10.1016/j.bmcl.2005.04.027; doi:10.1021/jm0602357) and we believe that the isatin warhead is a good starting point for SARS-CoV-19 drug discovery. We are hoping to get structures to help guide synthesis at Northeastern University (NEU).

Other Notes:

Z56887738=NEU-0006838=AA-001 Z85304748=NEU-0006839=AA-001 Z2944333641=NEU-0006840=AA-001 Z199464140=NEU-0006841=AA-001 Z57823200=NEU-0006842=AA-001 Z247609642=NEU-0006843=AA-001 Z808208506=NEU-0006844=AA-001 Z2677411580=NEU-0006845=AA-001 Z219138538=NEU-0006846=AA-001 These compounds are commercially available from Enamine and have been ordered for testing.

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Discussion: