Info
| ID | 5999 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1ʹ |
| SMILES | CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C45H36IrN6O/(1-80)(2-42)(3-44)(4-69)(5-47)(6-59)(7-72)(8-41)(9-58)(10-43)(11-55)(12-45)(13-48)(14-37)(15-62)(16-62)(17-63)(18-37)(19-80)(20-49)(21-51)(22-70)(23-57)(24-53)(25-60)(26-54)(27-63)(28-50)(29-52)(30-71)(31-61)(32-56)(33-40)(34-46)(35-37)(36-83)(37-63)(38-47)(38-64)(39-59)(39-65)(40-44)(40-64)(41-43)(41-69)(42-44)(42-47)(43-53)(45-54)(45-58)(46-48)(46-65)(48-55)(49-50)(49-67)(50-81)(51-52)(51-71)(52-68)(53-75)(54-76)(55-59)(56-60)(56-81)(57-61)(57-66)(58-72)(60-67)(61-70)(62-63)(62-80)(64-75)(65-76)(66-73)(66-78)(67-79)(68-74)(68-77)(69-84)(70-82)(71-86)(72-85)(73-77)(73-83)(74-78)(74-86)(75-84)(76-85)(77-87)(78-82)(79-83)(79-87)(80-88)(81-88)(84-89)(85-89)(86-89)(87-89)(88-89)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 46 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| A549 | 49 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| BEAS-2B | 1e+02 | — | 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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