Info
| ID | 6023 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir1 |
| SMILES | O=c1[nH]c(=O)n(CCCCNc2cc3cccnc3c3ncccc23)cc1F.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C50H38FIrN7O2/(1-43)(2-44)(3-41)(4-47)(5-55)(6-60)(7-50)(8-54)(9-46)(10-56)(11-45)(12-42)(13-79)(14-65)(15-65)(16-64)(17-79)(18-80)(19-53)(20-78)(21-52)(22-49)(23-74)(24-75)(25-76)(26-58)(27-64)(28-62)(29-63)(30-77)(31-61)(32-57)(33-59)(34-51)(35-48)(36-80)(37-90)(38-89)(39-50)(39-69)(40-54)(40-71)(41-42)(41-43)(42-66)(43-45)(44-47)(44-50)(45-68)(46-48)(46-49)(47-57)(48-58)(49-72)(51-52)(51-67)(52-77)(53-63)(53-73)(54-60)(55-59)(55-60)(56-68)(56-74)(57-69)(58-70)(59-71)(61-72)(61-75)(62-73)(62-84)(63-78)(64-65)(64-80)(65-79)(66-68)(66-81)(67-83)(67-84)(69-81)(70-72)(70-85)(71-85)(73-82)(74-92)(75-94)(76-88)(76-91)(77-95)(78-93)(79-90)(80-91)(81-92)(82-83)(82-93)(83-95)(84-90)(85-94)(86-88)(86-89)(86-96)(87-89)(87-91)(87-97)(88-98)(92-99)(93-99)(94-99)(95-99)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 3 | — | 10.1002/cbic.202400756 | 2025 |
| KYSE-140 | 6.1 | — | 10.1002/cbic.202400756 | 2025 |
| MCF-7 | 9.3 | — | 10.1002/cbic.202400756 | 2025 |
| Caco-2 | 15 | — | 10.1002/cbic.202400756 | 2025 |
| HepG2 | 1.1e+02 | — | 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.