Info
| ID | 5859 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 4 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21.c1c[nH]cn1 |
TUCAN
C36H31IrN5/(1-59)(2-47)(3-48)(4-46)(5-32)(6-32)(7-32)(8-33)(9-33)(10-38)(11-39)(12-61)(13-40)(14-45)(15-41)(16-43)(17-33)(18-34)(19-34)(20-34)(21-35)(22-35)(23-35)(24-36)(25-36)(26-36)(27-42)(28-44)(29-60)(30-67)(31-69)(32-49)(33-50)(34-51)(35-52)(36-53)(37-48)(37-57)(38-39)(38-54)(39-59)(40-42)(40-44)(41-42)(41-56)(43-56)(43-66)(44-55)(45-55)(45-65)(46-47)(46-48)(47-58)(49-50)(49-51)(50-52)(51-53)(52-53)(54-63)(54-64)(55-56)(57-58)(57-63)(58-62)(59-70)(60-61)(60-72)(61-69)(62-64)(62-68)(63-70)(64-71)(65-66)(65-71)(66-68)(67-69)(67-72)(70-73)(71-73)(72-73)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.6 | 0.0042 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| 1BR.3.G | 2 | 0.0008 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| PC-3 | 2.3 | 0.0011 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| MRC-5 | 2.5 | 0.0031 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2.9 | 0.0032 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2.9 | 0.01 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2.9 | 0.12 | 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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