Info
| ID | 5938 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir12 |
| SMILES | COc1c[c-]c(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C)cc2)cc1.Cc1c(-c2ccccc2)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C44H38IrN2O/(1-41)(2-41)(3-41)(4-51)(5-46)(6-43)(7-43)(8-39)(9-45)(10-50)(11-40)(12-47)(13-39)(14-40)(15-53)(16-49)(17-39)(18-43)(19-42)(20-54)(21-63)(22-55)(23-56)(24-57)(25-64)(26-81)(27-81)(28-81)(29-59)(30-42)(31-48)(32-40)(33-61)(34-58)(35-42)(36-52)(37-60)(38-62)(39-65)(40-69)(41-68)(42-71)(43-72)(44-64)(44-76)(45-46)(45-49)(46-66)(47-48)(47-66)(48-49)(50-53)(50-78)(51-52)(51-70)(52-59)(53-69)(54-55)(54-82)(55-76)(56-57)(56-63)(57-73)(58-61)(58-69)(59-60)(60-74)(61-78)(62-63)(62-75)(64-82)(65-67)(65-68)(66-67)(67-71)(68-72)(70-74)(70-77)(71-72)(73-75)(73-79)(74-75)(76-80)(77-79)(77-83)(78-83)(79-84)(80-83)(80-84)(81-85)(82-85)(84-86)(85-86)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 19 | — | 10.1016/j.jinorgbio.2024.11261... | 2024 |
| BEAS-2B | 28 | — | 10.1016/j.jinorgbio.2024.11261... | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«Western blotting further confirmed that complexes could induce A549 cell apoptosis through the lysosomal-mitochondrial anticancer pathway»
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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