HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound GDZ

Identifiers

  • Canonical SMILES: 
    CN1CCN(CC1)C2=CN3C(=O)C=C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4
  • InChi: 
    InChI=1S/C21H21FN6O/c1-14-11-27-12-15(9-17(22)21(27)23-14)18-10-20(29)28-13-16(3-4-19(28)24-18)26-7-5-25(2)6-8-26/h3-4,9-13H,5-8H2,1-2H3
  • InChiKey: 
    OCIABPGRNCLBEI-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

89740936

RNA-SM complexes

PDB code Deposition date Reference publication
6hmo Sept. 12, 2018 Campagne Sébastien, Boigner Sarah, Rüdisser Simon, Moursy Ahmed, Gillioz Laurent, Knörlein Anna, Hall Jonathan, Ratni Hasane, Cléry Antoine, Allain Frédéric H.-T.. . Structural basis of a small molecule targeting RNA for a specific splicing correction Nature Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 392.18 g/mol
HBA 7
HBD 0
HBA + HBD
AlogP 2.21
TPSA 58.15
RB 2

Radar chart