Submission Details

JOH-UNI-ea72002d
Molecule(s):
O=C1C=CC(=O)N1N(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

JOH-UNI-ea72002d-1

O=C1C=CC(=O)N1N(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(Nc1cccc2ccnc(N3C(=O)C=CC3=O)c12)C1CCOc2ccc(Cl)cc21

JOH-UNI-ea72002d-2

O=C(Nc1cccc2ccnc(N3C(=O)C=CC3=O)c12)C1CCOc2ccc(Cl)cc21

3-aminopyridine-like Check Availability on Manifold View
O=C(C1CCOc2ccc(Cl)cc21)C(c1cncc2ccccc12)N1C(=O)C=CC1=O

JOH-UNI-ea72002d-3

O=C(C1CCOc2ccc(Cl)cc21)C(c1cncc2ccccc12)N1C(=O)C=CC1=O

3-aminopyridine-like Check Availability on Manifold View
O=C1C=CC(=O)N1C(F)(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

JOH-UNI-ea72002d-4

O=C1C=CC(=O)N1C(F)(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
C=CS(=O)(=O)NN(C(=O)C1(F)CCOc2ccc(Cl)cc21)c1cncc2ccccc12

JOH-UNI-ea72002d-5

C=CS(=O)(=O)NN(C(=O)C1(F)CCOc2ccc(Cl)cc21)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
C=CS(=O)(=O)NN(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

JOH-UNI-ea72002d-6

C=CS(=O)(=O)NN(C(=O)C1CCOc2ccc(Cl)cc21)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
O=C(C1CCOc2ccc(Cl)cc21)N(NS(=O)(=O)F)c1cncc2ccccc12

JOH-UNI-ea72002d-7

O=C(C1CCOc2ccc(Cl)cc21)N(NS(=O)(=O)F)c1cncc2ccccc12

3-aminopyridine-like Check Availability on Manifold View
C=CS(=O)(=O)Nc1nccc2cccc(NC(=O)C3CCOc4ccc(Cl)cc43)c12

JOH-UNI-ea72002d-8

C=CS(=O)(=O)Nc1nccc2cccc(NC(=O)C3CCOc4ccc(Cl)cc43)c12

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

Another idea of a Cys warhead. Chemical (experimental( strategies are proving difficult. This might be sufficiently stable and readily synthesised,

Other Notes:

Racemate exemplar shown. Might be applicable to other leads as well as (R)- and (S)- forms in potent ones. F might add some configurational stability and prevent racemization.

Discussion:

Contributor: John Spencer, University of Sussex - Sun, 17 Jan 2021 12:00:11 +0000