HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound AMR

Identifiers

  • Canonical SMILES: 
    NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
  • IUPAC name: 
    3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
  • InChi: 
    InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
  • InChiKey: 
    XSDQTOBWRPYKKA-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

16231 CHEMBL945 DB00594

RNA-SM complexes

PDB code Deposition date Reference publication
23jz Feb. 9, 2026 Tsuzuki Kosuke, Onizuka Kazumitsu, Okada Momo, Nagasawa Ryosuke, Miyashita Emi, Komatsu Kaoru R., Saito Hirohide, Kondo Jiro, Nagatsugi Fumi. . RNA-binding landscape of amiloride: large-scale profiling and structural basis of U–U mismatch recognition RSC Chemical Biology
23ka Feb. 9, 2026 Tsuzuki Kosuke, Onizuka Kazumitsu, Okada Momo, Nagasawa Ryosuke, Miyashita Emi, Komatsu Kaoru R., Saito Hirohide, Kondo Jiro, Nagatsugi Fumi. . RNA-binding landscape of amiloride: large-scale profiling and structural basis of U–U mismatch recognition RSC Chemical Biology
23ka Feb. 9, 2026 Tsuzuki Kosuke, Onizuka Kazumitsu, Okada Momo, Nagasawa Ryosuke, Miyashita Emi, Komatsu Kaoru R., Saito Hirohide, Kondo Jiro, Nagatsugi Fumi. . RNA-binding landscape of amiloride: large-scale profiling and structural basis of U–U mismatch recognition RSC Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 229.05 g/mol
HBA 6
HBD 5
HBA + HBD
AlogP -1.08
TPSA 156.79
RB 1

Radar chart