Info
| ID | 5685 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)[nH]c1c(-c3nccs3)nccc12 |
TUCAN
C36H25IrN5S/(1-31)(2-33)(3-34)(4-52)(5-35)(6-32)(7-28)(8-39)(9-40)(10-38)(11-51)(12-45)(13-44)(14-53)(15-29)(16-37)(17-41)(18-54)(19-30)(20-36)(21-60)(22-46)(23-42)(24-43)(25-62)(26-31)(26-48)(27-46)(27-49)(28-33)(28-34)(29-37)(29-57)(30-37)(30-41)(31-38)(32-38)(32-39)(33-51)(34-55)(35-40)(35-53)(36-47)(36-54)(39-48)(40-42)(41-50)(42-59)(43-45)(43-49)(44-45)(44-46)(47-50)(47-56)(48-55)(49-59)(50-57)(51-63)(52-60)(52-65)(53-64)(54-66)(55-63)(56-58)(56-62)(57-62)(58-61)(58-66)(59-64)(60-67)(61-65)(61-67)(63-68)(64-68)(65-68)(66-68)(67-68)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 2.1 | 0.021 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 2.1 | 0.13 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 2.1 | 0.83 | 10.1016/j.ejmech.2024.116618 | 2024 |
| MCF-7 | 2.2 | 0.025 | 10.1016/j.ejmech.2024.116618 | 2024 |
| HeLa | 2.8 | 0.018 | 10.1016/j.ejmech.2024.116618 | 2024 |
| A549 | 4.6 | 0.062 | 10.1016/j.ejmech.2024.116618 | 2024 |
| 1BR.3.G | 5.1 | 0.056 | 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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