Info
| ID | 4116 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1} |
| Abbreviation | 6 |
| SMILES | C/C([O-])=C/C(=O)c1cccc(C(F)(F)F)c1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-] |
TUCAN
C23ClF3O2Ru/(1-13)(2-15)(3-16)(4-18)(5-19)(6-22)(7-20)(8-9)(8-17)(9-10)(10-14)(11-14)(11-17)(12-21)(12-22)(13-15)(13-16)(14-23)(15-18)(16-19)(17-21)(18-20)(19-20)(21-24)(22-25)(23-26)(23-27)(23-28)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 5.1 | — | 10.1021/acs.jmedchem.2c01174 | 2022 |
| HeLa | 6.1 | — | 10.1021/acs.jmedchem.2c01174 | 2022 |
| A2780cisR | 6.7 | — | 10.1021/acs.jmedchem.2c01174 | 2022 |
🧬 Cell Death Types (1)
Necroptosis
high
«Western blot analysis confirmed that similar to a known necroptosis-inducer shikonin, treatment with 1 increased the expression level of RIP1 and RIP3 in HeLa cells (Figure 12c), confirming necroptosi...»
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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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