Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.

@article{Yuki2017ActivityCF,
  title={Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen.},
  author={Hitomi Yuki and Ko Kikuzato and Yasuko Koda and Junko Mikuni and Yuri Tomabechi and Mutsuko Kukimoto-Niino and Akiko Tanaka and Fumiyuki Shirai and Mikako Shirouzu and Hiroo Koyama and Teruki Honma},
  journal={Bioorganic & medicinal chemistry},
  year={2017},
  volume={25 16},
  pages={4259-4264}
}
We previously reported the structure-based design of a highly potent hematopoietic cell kinase (HCK) inhibitor, a pyrrolo-pyrimidine compound designated RK-20449, for treatment of recurrent leukemia. Herein we report the synthesis and structure-activity relationships of some amino acid derivatives of 7-substituted pyrrolo-pyrimidine. Although these derivatives had the same predicted binding conformation as RK-20449, their IC50 values were 100-1000 times larger than that of the parent compound… CONTINUE READING
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