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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
  • SMARTS: 
    [#6]-[#7](-[#6])-[#6@H]1-[#6@@H]2-[#6]-[#6@@H]3-[#6]-[#6]4:[#6](:[#6]:[#6]:[#6](-[#8]):[#6]:4-[#6](=[#8])-[#6]-3=[#6](-[#8])-[#6@]-2(-[#8])-[#6](=[#8])-[#6](=[#6]-1-[#8])-[#6](-[#7])=[#8])-[#7](-[#6])-[#6]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

PDB Logo MIY DrugBank Logo DB01017

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.. 2026. 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.. 2026. 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.. 2026. 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.. 2026. 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.. 2026. 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