HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound B2R

Identifiers

  • Canonical SMILES: 
    Cc1ccc2ccc(NC(=O)OCCCNCCCOC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
  • InChi: 
    InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)
  • InChiKey: 
    RLXLNYXAIXVZCE-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

11591482 CHEMBL2032163

RNA-SM complexes

PDB code Deposition date Reference publication
6izp Dec. 20, 2018 Shibata Tomonori, Nagano Konami, Ueyama Morio, Ninomiya Kensuke, Hirose Tetsuro, Nagai Yoshitaka, Ishikawa Kinya, Kawai Gota, Nakatani Kazuhiko. . Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model Nature Communications
6izp Dec. 20, 2018 Shibata Tomonori, Nagano Konami, Ueyama Morio, Ninomiya Kensuke, Hirose Tetsuro, Nagai Yoshitaka, Ishikawa Kinya, Kawai Gota, Nakatani Kazuhiko. . Small molecule targeting r(UGGAA)n disrupts RNA foci and alleviates disease phenotype in Drosophila model Nature Communications
9i9w Feb. 7, 2025 Mateja-Pluta Martyna, Błaszczyk Leszek, Bejger Magdalena, Nakatani Kazuhiko, Kiliszek Agnieszka. . Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and exhibits a molecular glue characteristics in crystal lattice formation Nucleic Acids Research
9i9w Feb. 7, 2025 Mateja-Pluta Martyna, Błaszczyk Leszek, Bejger Magdalena, Nakatani Kazuhiko, Kiliszek Agnieszka. . Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and exhibits a molecular glue characteristics in crystal lattice formation Nucleic Acids Research
9i9w Feb. 7, 2025 Mateja-Pluta Martyna, Błaszczyk Leszek, Bejger Magdalena, Nakatani Kazuhiko, Kiliszek Agnieszka. . Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and exhibits a molecular glue characteristics in crystal lattice formation Nucleic Acids Research
9if0 Feb. 15, 2025 Mateja-Pluta Martyna, Błaszczyk Leszek, Bejger Magdalena, Nakatani Kazuhiko, Kiliszek Agnieszka. . Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and exhibits a molecular glue characteristics in crystal lattice formation Nucleic Acids Research
9if0 Feb. 15, 2025 Mateja-Pluta Martyna, Błaszczyk Leszek, Bejger Magdalena, Nakatani Kazuhiko, Kiliszek Agnieszka. . Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and exhibits a molecular glue characteristics in crystal lattice formation Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 503.23 g/mol
HBA 9
HBD 3
HBA + HBD
AlogP 4.36
TPSA 140.25
RB 10

Radar chart