Info
| ID | 6104 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir1 |
| SMILES | O=C(Nc1cc2cccnc2c2ncccc12)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C52H35IrN7O/(1-74)(2-42)(3-58)(4-46)(5-56)(6-39)(7-57)(8-63)(9-45)(10-51)(11-49)(12-38)(13-65)(14-47)(15-77)(16-52)(17-48)(18-40)(19-59)(20-76)(21-55)(22-50)(23-41)(24-61)(25-75)(26-64)(27-53)(28-54)(29-60)(30-62)(31-66)(32-43)(33-44)(34-89)(35-90)(36-40)(36-67)(37-41)(37-68)(38-42)(38-67)(39-56)(39-74)(40-45)(41-65)(42-45)(43-57)(43-75)(44-58)(44-68)(46-47)(46-73)(47-48)(48-50)(49-51)(49-82)(50-62)(51-66)(52-69)(52-81)(53-72)(53-84)(54-59)(54-76)(55-60)(55-71)(56-63)(57-64)(58-65)(59-72)(60-77)(61-66)(61-70)(62-73)(63-78)(64-79)(67-78)(68-79)(69-70)(69-86)(70-82)(71-84)(71-85)(72-83)(73-80)(74-91)(75-94)(76-92)(77-93)(78-91)(79-94)(80-86)(80-88)(81-87)(81-88)(82-89)(83-85)(83-92)(84-90)(85-93)(86-89)(87-90)(87-95)(91-96)(92-96)(93-96)(94-96)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1 | — | 10.1093/mtomcs/mfad035 | 2023 |
| HeLa | 2.2 | — | 10.1093/mtomcs/mfad035 | 2023 |
| HepG2 | 3.4 | — | 10.1093/mtomcs/mfad035 | 2023 |
| MCF-7 | 5.2 | — | 10.1093/mtomcs/mfad035 | 2023 |
| BEAS-2B | 10 | — | 10.1093/mtomcs/mfad035 | 2023 |
🧬 Cell Death Types (1)
Apoptosis
high
«the activation of intracellular caspase pathway and apoptosis was further validated to contribute to iridium complexes-induced cytotoxicity»
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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