Info
| ID | 4622 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | RuIQ-5 |
| SMILES | COc1cc2ccnc(-c3[c-]cc(F)cc3)c2cc1OC.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C37H29FN5O2Ru/(1-31)(2-32)(3-35)(4-34)(5-38)(6-41)(7-52)(8-33)(9-39)(10-53)(11-48)(12-42)(13-63)(14-63)(15-36)(16-47)(17-56)(18-62)(19-62)(20-54)(21-40)(22-45)(23-63)(24-62)(25-37)(26-44)(27-46)(28-43)(29-55)(30-47)(30-49)(31-33)(31-52)(32-33)(32-57)(34-39)(34-58)(35-45)(35-53)(36-38)(36-66)(37-50)(37-65)(38-49)(39-41)(40-45)(40-60)(41-54)(42-51)(42-64)(43-46)(43-61)(44-46)(44-55)(47-66)(48-51)(48-56)(49-59)(50-51)(50-59)(52-67)(53-68)(54-69)(55-70)(56-71)(57-58)(57-67)(58-69)(59-71)(60-61)(60-68)(61-70)(62-73)(63-72)(64-65)(64-72)(65-73)(66-74)(67-75)(68-75)(69-75)(70-75)(71-75)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2.2 | — | 10.1016/j.bioorg.2021.105516 | 2021 |
| A549cisR | 2.3 | — | 10.1016/j.bioorg.2021.105516 | 2021 |
| MCF-7 | 6.8 | — | 10.1016/j.bioorg.2021.105516 | 2021 |
| HepG2 | 7.2 | — | 10.1016/j.bioorg.2021.105516 | 2021 |
| HBE | 18 | — | 10.1016/j.bioorg.2021.105516 | 2021 |
🧬 Cell Death Types (1)
Apoptosis
high
«RuIQ-5 could induce apoptosis through mitochondrial dysfunction, reactive oxygen species (ROS) accumulation, ROS-mediated DNA damage, and cycle arrest at both S and G2/M phases.»
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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