Info
| ID | 6002 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir4ʹ |
| SMILES | CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Fc1[c-]c(-c2ccccn2)cc(F)c1.Fc1[c-]c(-c2ccccn2)cc(F)c1 |
TUCAN
C45H32F4IrN6O/(1-55)(2-37)(3-46)(4-36)(5-44)(6-41)(7-45)(8-49)(9-61)(10-43)(11-62)(12-52)(13-47)(14-33)(15-33)(16-33)(17-55)(18-63)(19-54)(20-39)(21-53)(22-72)(23-42)(24-48)(25-50)(26-51)(27-54)(28-38)(29-72)(30-64)(31-40)(32-79)(33-55)(34-56)(34-75)(35-60)(35-77)(36-37)(36-65)(37-49)(38-56)(38-74)(39-74)(39-75)(40-60)(40-76)(41-42)(41-57)(42-64)(43-44)(43-73)(44-58)(45-48)(45-51)(46-52)(46-61)(47-53)(47-73)(48-67)(49-62)(50-76)(50-77)(51-63)(52-59)(53-58)(54-55)(54-72)(56-65)(57-66)(57-69)(58-71)(59-68)(59-70)(60-67)(61-82)(62-80)(63-81)(64-78)(65-80)(66-68)(66-79)(67-81)(68-83)(69-70)(69-78)(70-82)(71-79)(71-83)(72-84)(73-84)(74-87)(75-85)(76-88)(77-86)(80-89)(81-89)(82-89)(83-89)(84-89)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 26 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| HeLa | 37 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| BEAS-2B | 44 | — | 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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