Info
| ID | 6025 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir3 |
| SMILES | O=c1[nH]c(=O)n(CCCCNc2cc3cccnc3c3ncccc23)cc1F.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C38H30FIrN7O2S2/(1-65)(2-35)(3-50)(4-33)(5-52)(6-54)(7-47)(8-43)(9-36)(10-66)(11-39)(12-56)(13-34)(14-55)(15-46)(16-40)(17-51)(18-42)(19-53)(20-47)(21-44)(22-55)(23-41)(24-37)(25-45)(26-38)(27-46)(28-56)(29-70)(30-69)(31-36)(31-67)(32-44)(32-68)(33-34)(33-57)(34-37)(35-42)(35-50)(36-65)(37-51)(38-39)(38-53)(39-49)(40-41)(40-48)(41-54)(42-45)(43-49)(43-61)(44-66)(45-58)(46-47)(46-55)(47-56)(48-60)(48-61)(49-59)(50-72)(51-74)(52-64)(52-71)(53-73)(54-75)(55-71)(56-69)(57-67)(57-74)(58-68)(58-72)(59-60)(59-73)(60-75)(61-69)(62-64)(62-70)(62-76)(63-70)(63-71)(63-77)(64-78)(65-79)(66-80)(67-79)(68-80)(72-81)(73-81)(74-81)(75-81)(79-81)(80-81)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 6.4 | — | 10.1002/cbic.202400756 | 2025 |
| KYSE-140 | 19 | — | 10.1002/cbic.202400756 | 2025 |
| Caco-2 | 20 | — | 10.1002/cbic.202400756 | 2025 |
| MCF-7 | 54 | — | 10.1002/cbic.202400756 | 2025 |
| HepG2 | 77 | — | 10.1002/cbic.202400756 | 2025 |
🧬 Cell Death Types (1)
Apoptosis
high
«Ir1 selectively induced apoptosis in HeLa cells by increasing mitochondrial production of reactive oxygen species (ROS), which triggered a cascade of events leading to mitochondrial dysfunction.»
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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.