Info
| ID | 5686 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 2 |
| SMILES | Cc1csc(-c2nccc3c2[nH]c2ccccc23)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C37H27IrN5S/(1-42)(2-34)(3-54)(4-31)(5-45)(6-40)(7-37)(8-32)(9-36)(10-38)(11-41)(12-48)(13-28)(14-49)(15-39)(16-47)(17-33)(18-28)(19-56)(20-35)(21-55)(22-46)(23-43)(24-44)(25-28)(26-63)(27-65)(28-59)(29-34)(29-50)(30-36)(30-52)(31-34)(31-37)(32-45)(32-57)(33-46)(33-58)(35-42)(35-49)(36-43)(37-40)(38-45)(38-54)(39-46)(39-55)(40-50)(41-51)(41-56)(42-48)(43-47)(44-47)(44-52)(48-61)(49-53)(50-57)(51-53)(51-60)(52-58)(53-61)(54-66)(55-68)(56-69)(57-66)(58-68)(59-63)(59-67)(60-62)(60-65)(61-65)(62-64)(62-69)(63-70)(64-67)(64-70)(66-71)(67-71)(68-71)(69-71)(70-71)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.4 | 0.016 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 1.5 | 0.017 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 1.5 | 0.085 | 10.1016/j.ejmech.2024.116618 | 2024 |
| PC-3 | 1.5 | 0.46 | 10.1016/j.ejmech.2024.116618 | 2024 |
| A549 | 2.4 | 0.035 | 10.1016/j.ejmech.2024.116618 | 2024 |
| 1BR.3.G | 4.1 | 0.032 | 10.1016/j.ejmech.2024.116618 | 2024 |
| MCF-7 | 4.2 | 0.021 | 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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