Info
| ID | 4115 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1} |
| Abbreviation | 5 |
| SMILES | Cc1c(C)c(C)c(C)c(C)c1C.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Cl-] |
TUCAN
C22ClF3O2Ru/(1-13)(2-14)(3-15)(4-17)(5-18)(6-19)(7-20)(7-21)(8-9)(8-16)(9-10)(10-11)(11-12)(12-16)(13-14)(13-15)(14-17)(15-18)(16-21)(17-19)(18-19)(20-22)(20-23)(21-24)(22-25)(22-26)(22-27)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 10 | — | 10.1021/acs.jmedchem.2c01174 | 2022 |
| HeLa | 14 | — | 10.1021/acs.jmedchem.2c01174 | 2022 |
| A2780cisR | 16 | — | 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...»
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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