HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound MIY

Identifiers

  • Canonical SMILES: 
    CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)N(C)C
  • IUPAC name: 
    (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
  • InChi: 
    InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
  • InChiKey: 
    DYKFCLLONBREIL-KVUCHLLUSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

RNA-SM complexes

PDB code Deposition date Reference publication
9pij July 10, 2025 Devarkar Swapnil C., Lomakin Ivan B., Wang Jimin, Grada Ayman, Bunick Christopher G.. . Dual site targeting of the bacterial 70S ribosome by tetracyclines Nature Communications
9pij July 10, 2025 Devarkar Swapnil C., Lomakin Ivan B., Wang Jimin, Grada Ayman, Bunick Christopher G.. . Dual site targeting of the bacterial 70S ribosome by tetracyclines Nature Communications
9pj9 July 12, 2025 Devarkar Swapnil C., Lomakin Ivan B., Wang Jimin, Grada Ayman, Bunick Christopher G.. . Dual site targeting of the bacterial 70S ribosome by tetracyclines Nature Communications
9pj9 July 12, 2025 Devarkar Swapnil C., Lomakin Ivan B., Wang Jimin, Grada Ayman, Bunick Christopher G.. . Dual site targeting of the bacterial 70S ribosome by tetracyclines Nature Communications
9pj9 July 12, 2025 Devarkar Swapnil C., Lomakin Ivan B., Wang Jimin, Grada Ayman, Bunick Christopher G.. . Dual site targeting of the bacterial 70S ribosome by tetracyclines Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 457.19 g/mol
HBA 9
HBD 5
HBA + HBD
AlogP 0.19
TPSA 164.63
RB 3

Radar chart