HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GDE

Identifiers

  • Canonical SMILES: 
    OC(=O)c1cc(O)c(O)c(O)c1
  • IUPAC name: 
    3,4,5-trihydroxybenzoic acid
  • InChi: 
    InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
  • InChiKey: 
    LNTHITQWFMADLM-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

370 CHEMBL288114

RNA-SM complexes

PDB code Deposition date Reference publication
8om0 March 31, 2023 Silvestri Ilaria, Manigrasso Jacopo, Andreani Alessandro, Brindani Nicoletta, Mas Caroline, Reiser Jean-Baptiste, Vidossich Pietro, Martino Gianfranco, McCarthy Andrew A., De Vivo Marco, Marcia Marco. . Targeting the conserved active site of splicing machines with specific and selective small molecule modulators Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 170.02 g/mol
HBA 4
HBD 4
HBA + HBD
AlogP 0.50
TPSA 97.99
RB 1

Radar chart