HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 3KF

Identifiers

  • Canonical SMILES: 
    O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O
  • IUPAC name: 
    (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one
  • InChi: 
    InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
  • InChiKey: 
    LZAZURSABQIKGB-AEKGRLRDSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

72376 CHEMBL98745

RNA-SM complexes

PDB code Deposition date Reference publication
4u51 July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature
4u51 July 24, 2014 Garreau de Loubresse Nicolas, Prokhorova Irina, Holtkamp Wolf, Rodnina Marina V., Yusupova Gulnara, Yusupov Marat. . Structural basis for the inhibition of the eukaryotic ribosome Nature

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 307.07 g/mol
HBA 7
HBD 5
HBA + HBD
AlogP -1.29
TPSA 128.48
RB 0

Radar chart