HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound YMZ

Identifiers

  • Canonical SMILES: 
    O[C@@H]([C@@H]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
  • InChi: 
    InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1
  • InChiKey: 
    XEEQGYMUWCZPDN-SWLSCSKDSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

456309 CHEMBL411329 DB05636

RNA-SM complexes

PDB code Deposition date Reference publication
8ogj March 20, 2023 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences
9g1z July 10, 2024 Kolosova Olga, Zgadzay Yury, Stetsenko Artem, Sukhinina Anastasia P., Atamas Anastasia, Validov Shamil, Rogachev Andrey, Usachev Konstantin, Jenner Lasse, Dmitriev Sergey E., Yusupova Gulnara, Guskov Albert, Yusupov Marat. . Mechanism of read-through enhancement by aminoglycosides and mefloquine Proceedings of the National Academy of Sciences

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 378.12 g/mol
HBA 3
HBD 2
HBA + HBD
AlogP 4.45
TPSA 45.15
RB 2

Radar chart