Info
| ID | 5689 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir2 |
| SMILES | CCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C33H35IrN4O/(1-67)(2-36)(3-36)(4-36)(5-45)(6-37)(7-37)(8-37)(9-39)(10-60)(11-43)(12-39)(13-39)(14-40)(15-40)(16-40)(17-41)(18-61)(19-41)(20-41)(21-44)(22-42)(23-38)(24-38)(25-50)(26-51)(27-51)(28-38)(29-50)(30-46)(31-49)(32-47)(33-48)(34-67)(35-70)(36-52)(37-53)(38-51)(39-54)(40-56)(41-57)(42-43)(42-68)(43-59)(44-45)(44-60)(45-55)(46-47)(46-61)(47-58)(48-49)(48-59)(49-68)(50-51)(50-67)(52-53)(52-54)(53-56)(54-57)(55-62)(55-63)(56-57)(58-64)(58-65)(59-66)(60-69)(61-71)(62-64)(62-69)(63-65)(63-70)(64-71)(65-72)(66-70)(66-72)(67-73)(68-73)(71-74)(72-74)(73-74)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 28 | — | 10.1021/acs.inorgchem.4c03975 | 2024 |
| A549 | 46 | — | 10.1021/acs.inorgchem.4c03975 | 2024 |
| BEAS-2B | 51 | — | 10.1021/acs.inorgchem.4c03975 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«thereby leading to intrinsic apoptotic pathways»
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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