Info
| ID | 5857 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 2 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21 |
TUCAN
C33H27IrN3/(1-28)(2-28)(3-28)(4-29)(5-29)(6-36)(7-44)(8-38)(9-40)(10-55)(11-34)(12-39)(13-35)(14-43)(15-37)(16-42)(17-41)(18-29)(19-30)(20-30)(21-30)(22-31)(23-31)(24-31)(25-32)(26-32)(27-32)(28-48)(29-49)(30-50)(31-51)(32-52)(33-44)(33-45)(34-36)(34-47)(35-46)(35-58)(36-44)(37-41)(37-55)(38-53)(38-59)(39-42)(39-43)(40-42)(40-46)(41-54)(43-53)(45-47)(45-56)(46-53)(47-57)(48-49)(48-50)(49-51)(50-52)(51-52)(54-56)(54-60)(55-62)(56-62)(57-60)(57-61)(58-59)(58-61)(59-63)(60-63)(62-64)(63-64)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2.2 | 0.0069 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2.2 | 0.032 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2.2 | 0.6 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| HeLa | 2.7 | 0.037 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| PC-3 | 2.7 | 0.0089 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| 1BR.3.G | 3.2 | 0.0062 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| MRC-5 | 3.9 | 0.016 | 10.1021/acs.jmedchem.3c01276 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«Consequently, cell death by apoptosis and secondary necrosis is activated.»
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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