HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GE6

Identifiers

  • Canonical SMILES: 
    NC(=O)C1=NC(=CN([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O)F
  • InChi: 
    InChI=1S/C10H15FN3O15P3/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H,22,23)(H,24,25)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1
  • InChiKey: 
    UUKPXXBDUCDZDA-KAFVXXCXSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5271809 CHEMBL3818050

RNA-SM complexes

PDB code Deposition date Reference publication
7aap Sept. 4, 2020 Naydenova Katerina, Muir Kyle W., Wu Long-Fei, Zhang Ziguo, Coscia Francesca, Peet Mathew J., Castro-Hartmann Pablo, Qian Pu, Sader Kasim, Dent Kyle, Kimanius Dari, Sutherland John D., Löwe Jan, Barford David, Russo Christopher J.. . Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP Proceedings of the National Academy of Sciences
7ctt Aug. 20, 2020 Peng Qi, Peng Ruchao, Yuan Bin, Wang Min, Zhao Jingru, Fu Lifeng, Qi Jianxun, Shi Yi. . Structural Basis of SARS-CoV-2 Polymerase Inhibition by Favipiravir The Innovation

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 528.97 g/mol
HBA 12
HBD 7
HBA + HBD
AlogP -2.56
TPSA 287.49
RB 9

Radar chart