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TitleDiscovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 7677-7702, Year 2017
Publish dateMay 3, 2017 (structure data deposition date)
AuthorsMikami, S. / Nakamura, S. / Ashizawa, T. / Nomura, I. / Kawasaki, M. / Sasaki, S. / Oki, H. / Kokubo, H. / Hoffman, I.D. / Zou, H. ...Mikami, S. / Nakamura, S. / Ashizawa, T. / Nomura, I. / Kawasaki, M. / Sasaki, S. / Oki, H. / Kokubo, H. / Hoffman, I.D. / Zou, H. / Uchiyama, N. / Nakashima, K. / Kamiguchi, N. / Imada, H. / Suzuki, N. / Iwashita, H. / Taniguchi, T.
External linksJ. Med. Chem. / PubMed:28796496
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-5vp0:
Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-9GJ:
N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Inhibitor / Phosphodiesterase / Brain-Pentrating / Cognitive Disorders / HYDROLASE-HYDROLASE INHIBITOR complex

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