Info
| ID | 6000 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2ʹ |
| SMILES | CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1 |
TUCAN
C47H40IrN6O/(1-63)(2-49)(3-53)(4-41)(5-48)(6-41)(7-47)(8-41)(9-52)(10-75)(11-59)(12-51)(13-43)(14-42)(15-42)(16-67)(17-67)(18-60)(19-57)(20-42)(21-86)(22-66)(23-65)(24-76)(25-77)(26-64)(27-50)(28-43)(29-62)(30-46)(31-86)(32-78)(33-54)(34-61)(35-56)(36-58)(37-43)(38-55)(39-66)(40-89)(41-68)(42-67)(43-74)(44-47)(44-69)(45-59)(45-73)(46-53)(46-75)(47-68)(48-52)(48-68)(49-53)(49-79)(50-58)(50-74)(51-55)(51-83)(52-69)(54-55)(54-77)(56-64)(56-76)(57-62)(57-87)(58-73)(59-74)(60-61)(60-70)(61-87)(62-70)(63-65)(63-78)(64-72)(65-71)(66-67)(66-86)(69-79)(70-85)(71-82)(71-84)(72-80)(72-81)(73-83)(75-90)(76-88)(77-93)(78-92)(79-90)(80-82)(80-88)(81-84)(81-89)(82-92)(83-93)(84-91)(85-89)(85-91)(86-94)(87-94)(90-95)(91-95)(92-95)(93-95)(94-95)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 17 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| A549 | 54 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| BEAS-2B | 91 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
🧬 Cell Death Types (1)
Apoptosis
high
«Mechanistic studies confirmed that these complexes selectively target mitochondria ... leading to ... activation of intrinsic apoptosis 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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