Info
| ID | 6105 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir2 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(Nc1cc2cccnc2c2ncccc12)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 |
TUCAN
C52H31F4IrN7O/(1-46)(2-67)(3-40)(4-35)(5-42)(6-44)(7-68)(8-50)(9-47)(10-69)(11-43)(12-66)(13-51)(14-55)(15-49)(16-36)(17-45)(18-48)(19-37)(20-52)(21-56)(22-54)(23-39)(24-38)(25-34)(26-57)(27-41)(28-53)(29-58)(30-86)(31-85)(32-38)(32-59)(33-57)(33-65)(34-42)(34-61)(35-43)(35-45)(36-47)(36-60)(37-45)(37-63)(38-81)(39-54)(39-73)(40-80)(40-81)(41-58)(41-74)(42-66)(43-76)(44-50)(44-64)(46-50)(46-51)(47-67)(48-60)(48-77)(49-51)(49-64)(52-62)(52-71)(53-82)(53-83)(54-55)(55-68)(56-58)(56-69)(57-83)(59-73)(59-80)(60-72)(61-70)(61-77)(62-63)(62-78)(63-76)(64-75)(65-74)(65-82)(66-87)(67-88)(68-89)(69-90)(70-72)(70-87)(71-79)(71-84)(72-88)(73-89)(74-90)(75-78)(75-84)(76-86)(77-85)(78-86)(79-85)(79-91)(80-92)(81-94)(82-93)(83-95)(87-96)(88-96)(89-96)(90-96)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.7 | — | 10.1093/mtomcs/mfad035 | 2023 |
| HeLa | 1.9 | — | 10.1093/mtomcs/mfad035 | 2023 |
| HepG2 | 2.1 | — | 10.1093/mtomcs/mfad035 | 2023 |
| MCF-7 | 4.7 | — | 10.1093/mtomcs/mfad035 | 2023 |
| BEAS-2B | 8.8 | — | 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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