Submission Details

VLA-UNK-f2612802
Molecule(s):
CNC(=O)CN1C(C(F)(F)F)[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2S1(=O)=O

VLA-UNK-f2612802-1

CNC(=O)CN1C(C(F)(F)F)[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2S1(=O)=O

CNC(=O)CN1C[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)c(F)cc2S1(=O)=O

VLA-UNK-f2612802-2

CNC(=O)CN1C[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)c(F)cc2S1(=O)=O

3-aminopyridine-like Check Availability on Manifold View
CNC(=O)CN1C[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)cc(F)c2S1(=O)=O

VLA-UNK-f2612802-3

CNC(=O)CN1C[C@]2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)cc(F)c2S1(=O)=O

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

Transformations to increase the half-life based on published MMPs in "Strategy for Extending Half-life in Drug Design and Its Significance" (DOI: 10.1021/acsmedchemlett.8b00018). Add non-metabolically liable lipophilicity to net improve half-life (by improving vol. of distribution by a bigger margin than clearance).

Other Notes:

Same ideas as here: https://covid.postera.ai/covid/submissions/61877630-799e-4e90-81f3-1e73d5804214

Inspired By:
Discussion:

Contributor: Vladas Oleinikovas - Thu, 30 Dec 2021 17:02:58 +0000