Info
| ID | 5965 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2a |
| SMILES | Nc1nc(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(Cl)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C39H25Cl2IrN9/(1-29)(2-51)(3-31)(4-35)(5-33)(6-43)(7-54)(8-30)(9-34)(10-44)(11-28)(12-40)(13-39)(14-52)(15-38)(16-42)(17-32)(18-36)(19-53)(20-37)(21-45)(22-41)(23-65)(24-69)(25-65)(26-34)(26-46)(27-40)(27-47)(28-29)(28-51)(29-35)(30-31)(30-46)(31-33)(32-41)(32-47)(33-34)(35-55)(36-39)(36-52)(37-38)(37-50)(38-53)(39-49)(40-44)(41-44)(42-45)(42-54)(43-45)(43-58)(46-55)(47-58)(48-61)(48-63)(48-64)(49-59)(49-60)(50-56)(50-57)(51-70)(52-66)(53-68)(54-71)(55-70)(56-60)(56-68)(57-59)(57-69)(58-71)(59-72)(60-66)(61-69)(61-72)(62-65)(62-67)(62-73)(63-67)(63-74)(64-73)(64-75)(70-76)(71-76)(72-76)(73-76)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 5.6 | — | 10.1016/j.ejmech.2024.116295 | 2024 |
| B16 | 8.4 | — | 10.1016/j.ejmech.2024.116295 | 2024 |
| HCT-116 | 11 | — | 10.1016/j.ejmech.2024.116295 | 2024 |
| HepG2 | 15 | — | 10.1016/j.ejmech.2024.116295 | 2024 |
| LO2 | 55 | — | 10.1016/j.ejmech.2024.116295 | 2024 |
🧬 Cell Death Types (3)
Apoptosis
high
«Complex 2c induce an early apoptosis, while 2a and 2b cause a late apoptosis.»
Ferroptosis
high
«ferroptosis was investigated through measurements of intracellular glutathione (GSH), malondialdehyde (MDA), and recombinant glutathione peroxidase (GPX4) protein expression.»
Pyroptosis
high
«The pyroptosis was explored via cell morphology, release of lactate dehydrogenase (LDH) and expression of pyroptosis-related proteins.»
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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