HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound PRL

Identifiers

  • Canonical SMILES:
    Nc1ccc2cc3ccc(N)cc3nc2c1
  • IUPAC name:
    acridine-3,6-diamine
  • InChi:
    InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
  • InChiKey:
    WDVSHHCDHLJJJR-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
2kd4 Jan. 2, 2009 Horowitz Eric D., Lilavivat Seth, Holladay Benjamin W., Germann Markus W., Hud Nicholas V.. . Solution Structure and Thermodynamics of 2′,5′ RNA Intercalation Journal of the American Chemical Society
2kd4 Jan. 2, 2009 Horowitz Eric D., Lilavivat Seth, Holladay Benjamin W., Germann Markus W., Hud Nicholas V.. . Solution Structure and Thermodynamics of 2′,5′ RNA Intercalation Journal of the American Chemical Society

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 209.10 g/mol
HBA 3
HBD 2
HBA + HBD
AlogP 2.55
TPSA 64.93
RB 0

Radar chart