Submission Details

JOH-UNI-16fcdf60
Molecule(s):
O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCOc2ccc(Cl)cc21

JOH-UNI-16fcdf60-1

O=C(Nc1nnc(C2CC2)s1)[C@@H]1CCOc2ccc(Cl)cc21

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

Lots of ifs.... I can;t visualise or model structure of this.... Can the cprop be moved along the ring? Can a S be introduced to make use of the sulphur effect? Might lead to some conformational restriction?

Other Notes:

See: A Survey of the Role of Noncovalent Sulfur Interactions in Drug Design. DOI: 10.1021/jm501853m

Discussion:

Contributor: John Spencer, University of Sussex - Fri, 03 Jul 2020 23:12:22 +0000