Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor

J Med Chem. 2020 Feb 27;63(4):1612-1623. doi: 10.1021/acs.jmedchem.9b01423. Epub 2020 Feb 12.

Abstract

Inhibition of mutant IDH1 is being evaluated clinically as a treatment option for oncology. Here we describe the structure-based design and optimization of quinoline lead compounds to identify FT-2102, a potent, orally bioavailable, brain penetrant, and selective mIDH1 inhibitor. FT-2102 has excellent ADME/PK properties and reduces 2-hydroxyglutarate levels in an mIDH1 xenograft tumor model. This compound has been selected as a candidate for clinical development in hematologic malignancies, solid tumors, and gliomas with mIDH1.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Antineoplastic Agents / chemical synthesis
  • Antineoplastic Agents / metabolism
  • Antineoplastic Agents / therapeutic use*
  • Cell Line, Tumor
  • Drug Design
  • Drug Screening Assays, Antitumor
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / metabolism
  • Enzyme Inhibitors / therapeutic use*
  • Female
  • Humans
  • Isocitrate Dehydrogenase / antagonists & inhibitors*
  • Isocitrate Dehydrogenase / metabolism
  • Mice, Inbred BALB C
  • Molecular Structure
  • Neoplasms / drug therapy*
  • Protein Binding
  • Pyridines / chemical synthesis
  • Pyridines / metabolism
  • Pyridines / therapeutic use*
  • Quinolines / chemical synthesis
  • Quinolines / metabolism
  • Quinolines / therapeutic use*
  • Quinolones / chemical synthesis
  • Quinolones / metabolism
  • Quinolones / therapeutic use*
  • Structure-Activity Relationship
  • Xenograft Model Antitumor Assays

Substances

  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Pyridines
  • Quinolines
  • Quinolones
  • olutasidenib
  • Isocitrate Dehydrogenase
  • IDH1 protein, human