Info
| ID | 5968 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 1a |
| SMILES | Nc1cc(Br)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C41H28BrIrN7/(1-46)(2-35)(3-57)(4-48)(5-32)(6-34)(7-36)(8-45)(9-43)(10-59)(11-44)(12-31)(13-50)(14-51)(15-42)(16-58)(17-41)(18-33)(19-49)(20-47)(21-40)(22-60)(23-39)(24-38)(25-37)(26-70)(27-70)(28-72)(29-46)(29-52)(30-48)(30-53)(31-33)(31-35)(32-36)(32-57)(33-52)(34-45)(34-59)(35-46)(36-44)(37-38)(37-53)(38-43)(39-41)(39-58)(40-42)(40-54)(41-56)(42-60)(43-48)(44-61)(45-49)(47-51)(47-69)(49-66)(50-64)(50-69)(51-55)(52-61)(53-66)(54-62)(54-63)(55-64)(55-68)(56-65)(56-67)(57-73)(58-71)(59-74)(60-76)(61-73)(62-67)(62-76)(63-65)(63-75)(64-70)(65-72)(66-74)(67-71)(68-72)(68-75)(69-77)(73-78)(74-78)(75-78)(76-78)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 14 | — | 10.1016/j.ejmech.2023.116112 | 2024 |
| A549 | 14 | — | 10.1016/j.ejmech.2023.116112 | 2024 |
| HeLa | 15 | — | 10.1016/j.ejmech.2023.116112 | 2024 |
| B16 | 17 | — | 10.1016/j.ejmech.2023.116112 | 2024 |
| HepG2 | 34 | — | 10.1016/j.ejmech.2023.116112 | 2024 |
| LO2 | 44 | — | 10.1016/j.ejmech.2023.116112 | 2024 |
🧬 Cell Death Types (3)
Apoptosis
high
«our investigation illuminated the mitochondrial accumulation of these liposomal entities, 1alip, 1blip, and 1clip, evoking apoptosis through the mitochondrial dysfunction mediated by reactive oxygen s...»
Ferroptosis
high
«The ferroptosis was confirmed by decrease in glutathione (GSH) concentrations, the downregulation of glutathione peroxidase 4 (GPX4), increase of high mobility group protein 1 (HMGB1), and lipid perox...»
Pyroptosis
high
«Simultaneously, pyroptosis as another mode of cell death was undertaken. RNA-sequencing was employed to investigate intricate signalling pathways.»
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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