Info
| ID | 5687 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 3 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2sc(-c3nccc4c3[nH]c3ccccc34)nc2c1 |
TUCAN
C40H27IrN5S/(1-34)(2-35)(3-46)(4-57)(5-47)(6-42)(7-37)(8-50)(9-38)(10-48)(11-52)(12-58)(13-36)(14-30)(15-59)(16-40)(17-32)(18-31)(19-41)(20-51)(21-43)(22-33)(23-39)(24-49)(25-44)(26-45)(27-68)(28-34)(28-53)(29-52)(29-56)(30-37)(30-38)(31-39)(31-66)(32-55)(32-59)(33-41)(33-54)(34-42)(35-36)(35-42)(36-53)(37-64)(38-57)(39-46)(40-46)(40-63)(41-47)(43-45)(43-56)(44-49)(44-58)(45-50)(47-48)(48-60)(49-51)(50-52)(51-65)(53-64)(54-55)(54-60)(55-61)(56-65)(57-69)(58-72)(59-71)(60-68)(61-62)(61-68)(62-67)(62-71)(63-66)(63-70)(64-69)(65-72)(66-73)(67-70)(67-73)(69-74)(70-74)(71-74)(72-74)(73-74)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.3 | 0.014 | 10.1016/j.ejmech.2024.116618 | 2024 |
| MCF-7 | 1.3 | 0.012 | 10.1016/j.ejmech.2024.116618 | 2024 |
| A549 | 1.5 | 0.02 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 2.3 | 0.017 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 2.3 | 0.12 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 2.3 | 0.27 | 10.1016/j.ejmech.2024.116618 | 2024 |
| 1BR.3.G | 9.2 | 0.097 | 10.1016/j.ejmech.2024.116618 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«Upon photoactivation, they generate ROS, leading to mitochondrial dysfunction and lysosomal damage and ultimately cell apoptosis.»
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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