HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound U7Y

Identifiers

  • Canonical SMILES: 
    Cn1nnnc1c2ccc(cn2)c3ccc(cc3F)N4C[C@H](CO)OC4=O
  • IUPAC name: 
    (5R)-3-{3-fluoro-4-[6-(1-methyl-1H-tetrazol-5-yl)pyridin-3-yl]phenyl}-5-(hydroxymethyl)-1,3-oxazolidin-2-one
  • InChi: 
    InChI=1S/C17H15FN6O3/c1-23-16(20-21-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(9-25)27-17(24)26/h2-7,12,25H,8-9H2,1H3/t12-/m1/s1
  • InChiKey: 
    WFAZKGCKGCUHAN-GFCCVEGCSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

11303193

RNA-SM complexes

PDB code Deposition date Reference publication
6wru April 30, 2020 Wright Alexander, Deane-Alder Kieran, Marschall Edward, Bamert Rebecca, Venugopal Hari, Lithgow Trevor, Lupton David W., Belousoff Matthew J.. . Characterization of the Core Ribosomal Binding Region for the Oxazolidone Family of Antibiotics Using Cryo-EM ACS Pharmacology & Translational Science

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 370.12 g/mol
HBA 8
HBD 1
HBA + HBD
AlogP 1.40
TPSA 106.26
RB 4

Radar chart