Info
| ID | 5948 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir4 |
| SMILES | O=C(Nc1cc2cccnc2c2ncccc12)c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C36H24IrN6OS2/(1-27)(2-28)(3-40)(4-49)(5-45)(6-29)(7-39)(8-35)(9-34)(10-36)(11-31)(12-41)(13-46)(14-47)(15-37)(16-33)(17-38)(18-32)(19-30)(20-48)(21-42)(22-57)(23-58)(24-62)(25-29)(25-59)(26-39)(26-60)(27-28)(27-33)(28-45)(29-57)(30-34)(30-46)(31-42)(31-51)(32-43)(32-50)(33-53)(34-38)(35-40)(35-44)(36-41)(36-48)(37-42)(37-49)(38-54)(39-58)(40-47)(41-43)(43-52)(44-50)(44-55)(45-63)(46-64)(47-66)(48-65)(49-61)(50-62)(51-56)(51-61)(52-55)(52-65)(53-59)(53-63)(54-60)(54-64)(55-66)(56-62)(56-67)(57-68)(58-69)(59-68)(60-69)(63-70)(64-70)(65-70)(66-70)(68-70)(69-70)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 4.3 | — | 10.1016/j.jinorgbio.2023.11239... | 2023 |
| HepG2 | 4.7 | — | 10.1016/j.jinorgbio.2023.11239... | 2023 |
| HeLa | 5.1 | — | 10.1016/j.jinorgbio.2023.11239... | 2023 |
| MCF-7 | 6.6 | — | 10.1016/j.jinorgbio.2023.11239... | 2023 |
| LO2 | 16 | — | 10.1016/j.jinorgbio.2023.11239... | 2023 |
🧬 Cell Death Types (2)
Apoptosis
high
«Further investigations revealed that Ir2 could simultaneously induce both apoptosis and autophagy in A549 cells»
Autophagy
high
«Further investigations revealed that Ir2 could simultaneously induce both apoptosis and autophagy in A549 cells, with the latter acting as a non-protective mechanism that promoted cell death.»
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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