Identification of Triazolothiadiazoles as Potent Inhibitors of the dCTP Pyrophosphatase 1

J Med Chem. 2017 Mar 9;60(5):2148-2154. doi: 10.1021/acs.jmedchem.6b01786. Epub 2017 Feb 15.

Abstract

The dCTP pyrophosphatase 1 (dCTPase) is involved in the regulation of the cellular dNTP pool and has been linked to cancer progression. Here we report on the discovery of a series of 3,6-disubstituted triazolothiadiazoles as potent dCTPase inhibitors. Compounds 16 and 18 display good correlation between enzymatic inhibition and target engagement, together with efficacy in a cellular synergy model, deeming them as a promising starting point for hit-to-lead development.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Enzyme Inhibitors / pharmacology*
  • High-Throughput Screening Assays
  • Humans
  • Molecular Docking Simulation
  • Pyrophosphatases / antagonists & inhibitors*
  • Thiadiazoles / pharmacology*

Substances

  • Enzyme Inhibitors
  • Thiadiazoles
  • Pyrophosphatases
  • dCTP pyrophosphatase