Info
| ID | 6073 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir-1 |
| SMILES | Oc1cccc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C44H29IrN7O/(1-60)(2-32)(3-44)(4-37)(5-34)(6-38)(7-40)(8-39)(9-36)(10-47)(11-35)(12-33)(13-49)(14-54)(15-46)(16-61)(17-42)(18-50)(19-48)(20-52)(21-53)(22-51)(23-45)(24-41)(25-63)(26-62)(27-43)(28-76)(29-81)(30-32)(30-55)(31-39)(31-56)(32-33)(33-35)(34-38)(34-60)(35-37)(36-40)(36-62)(37-55)(38-47)(39-41)(40-48)(41-42)(42-43)(43-56)(44-50)(44-58)(45-46)(45-61)(46-57)(47-69)(48-70)(49-52)(49-53)(50-63)(51-54)(51-64)(52-73)(53-59)(54-59)(55-69)(56-70)(57-65)(57-68)(58-66)(58-71)(59-67)(60-77)(61-80)(62-78)(63-74)(64-72)(64-75)(65-71)(65-79)(66-68)(66-74)(67-73)(67-75)(68-80)(69-77)(70-78)(71-76)(72-76)(72-79)(73-81)(77-82)(78-82)(79-82)(80-82)(81-82)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 5.1 | — | 10.1093/mtomcs/mfac068 | 2022 |
| HepG2 | 12 | — | 10.1093/mtomcs/mfac068 | 2022 |
| A549 | 13 | — | 10.1093/mtomcs/mfac068 | 2022 |
| LO2 | 18 | — | 10.1093/mtomcs/mfac068 | 2022 |
| A549cisR | 18 | — | 10.1093/mtomcs/mfac068 | 2022 |
🧬 Cell Death Types (2)
Apoptosis
high
«Further studies show that Ir-1-3 can specifically accumulate in lysosomes, damage the integrity of lysosomes, and induce apoptosis and autophagy.»
Autophagy
high
«Further studies show that Ir-1-3 can specifically accumulate in lysosomes, damage the integrity of lysosomes, and induce apoptosis and autophagy.»
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.