Submission Details

JOH-UNI-3267ef54
Molecule(s):
[2H]c1nc([2H])c2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21

JOH-UNI-3267ef54-1

[2H]c1nc([2H])c2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21

[2H]c1ncc(NC(=O)[C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)c2ccccc12

JOH-UNI-3267ef54-2

[2H]c1ncc(NC(=O)[C@@H]2CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)c2ccccc12

[2H]c1ncc2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21

JOH-UNI-3267ef54-3

[2H]c1ncc2ccccc2c1NC(=O)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21

Design Rationale:

Correction/alteration to previous submission. C-D incorporation may mitigate against A.O. liabilities. Hard to detect in vitro but may be discernible in in vivo assays.

Discussion:

Contributor: John Spencer, University of Sussex - Sun, 13 Feb 2022 16:41:25 +0000