AUG 4, 2026 · JOURNAL ARTICLE
Mapping the electronic and biological landscape of halogenated aryl quinoline derivatives via computational approaches
Discover Chemistry.
Computational modelling of novel quinoline derivatives with no experimental biological validation; this is mechanistic and exploratory work that raises questions rather than answering them in a clinical or even in vitro experimental context.
Reported
Oral bioavailability (all compoun…0.55
Caco-2 intestinal permeability ra…−4.708 to −4.756
Apparent permeability (QNL1, QNL3)>1.0 × 10 cm/s