Info
| ID | 6074 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir-2 |
| SMILES | Oc1cccc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nc12.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C40H25IrN7OS2/(1-29)(2-34)(3-35)(4-36)(5-44)(6-28)(7-31)(8-32)(9-38)(10-50)(11-30)(12-41)(13-37)(14-39)(15-62)(16-48)(17-51)(18-63)(19-43)(20-49)(21-40)(22-33)(23-42)(24-68)(25-73)(26-28)(26-64)(27-42)(27-65)(28-62)(29-31)(29-32)(30-39)(30-43)(31-52)(32-48)(33-41)(33-51)(34-35)(34-61)(35-36)(36-45)(37-38)(37-45)(38-59)(39-57)(40-44)(40-46)(41-47)(42-63)(43-49)(44-50)(45-58)(46-53)(46-55)(47-54)(47-56)(48-69)(49-70)(50-67)(51-72)(52-64)(52-69)(53-54)(53-68)(54-71)(55-56)(55-67)(56-72)(57-65)(57-70)(58-61)(58-66)(59-60)(59-66)(60-68)(60-71)(61-73)(62-74)(63-75)(64-74)(65-75)(69-76)(70-76)(71-76)(72-76)(73-76)(74-76)(75-76)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 4.7 | — | 10.1093/mtomcs/mfac068 | 2022 |
| A549 | 5.5 | — | 10.1093/mtomcs/mfac068 | 2022 |
| LO2 | 6.9 | — | 10.1093/mtomcs/mfac068 | 2022 |
| HepG2 | 7.8 | — | 10.1093/mtomcs/mfac068 | 2022 |
| A549cisR | 8.9 | — | 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.