Sorna, Venkataswamy; Theisen, Emily R.; Stephens, Bret; Warner, Steven L.; Bearss, David J.; Vankayalapati, Hariprasad; Sharma, Sunil published an article about the compound: 1-(2-chloropyridine-4-yl)ethanone( cas:23794-15-2,SMILESS:CC(=O)C1=CC(Cl)=NC=C1 ).Reference of 1-(2-chloropyridine-4-yl)ethanone. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:23794-15-2) through the article.
Lysine specific demethylase 1 (LSD1) plays an important role in regulating histone lysine methylation at residues K4 and K9 on histone H3 and is an attractive therapeutic target in multiple malignancies. Here we report a structure-based virtual screen of a compound library containing ∼2 million small mol. entities. Computational docking and scoring followed by biochem. screening led to the identification of a novel N’-(1-phenylethylidene)-benzohydrazide series of LSD1 inhibitors with hits showing biochem. IC50s in the 200-400 nM range. Hit-to-lead optimization and structure-activity relation studies aided in the discovery of compound (I), with a Ki of 31 nM. Compound I is reversible and specific for LSD1 as compared to the monoamine oxidases shows minimal inhibition of CYPs and hERG and inhibits proliferation and survival in several cancer cell lines, including breast and colorectal cancer. Compound I may be used to probe LSD1’s biol. role in these cancers.
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