HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound D3T

Identifiers

  • Canonical SMILES: 
    CC1=CN([C@H]2CC[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
  • InChi: 
    InChI=1S/C10H17N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
  • InChiKey: 
    URGJWIFLBWJRMF-JGVFFNPUSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

65051 CHEMBL566812

RNA-SM complexes

PDB code Deposition date Reference publication
9hdo Nov. 12, 2024 Ghanim George E., Hu Hongmiao, Boulanger Jerome, Nguyen Thi Hoang Duong. . Structural mechanism of LINE-1 target-primed reverse transcription Science
9hdp Nov. 12, 2024 Ghanim George E., Hu Hongmiao, Boulanger Jerome, Nguyen Thi Hoang Duong. . Structural mechanism of LINE-1 target-primed reverse transcription Science
9hdr Nov. 12, 2024 Ghanim George E., Hu Hongmiao, Boulanger Jerome, Nguyen Thi Hoang Duong. . Structural mechanism of LINE-1 target-primed reverse transcription Science

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 465.99 g/mol
HBA 9
HBD 5
HBA + HBD
AlogP -0.13
TPSA 223.91
RB 8

Radar chart