Info
| ID | 4866 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "N": 3} |
| Abbreviation | Ir3 |
| SMILES | S=C([S-])N1CCOCC1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C27H24IrN3OS2/(1-43)(2-29)(3-37)(4-32)(5-30)(6-27)(7-45)(8-40)(9-38)(10-39)(11-28)(12-36)(13-45)(14-49)(15-49)(16-46)(17-35)(18-33)(19-31)(20-44)(21-34)(22-50)(23-46)(24-50)(25-30)(25-41)(26-40)(26-42)(27-28)(27-37)(28-47)(29-30)(29-32)(31-32)(31-41)(33-36)(33-39)(34-38)(34-42)(35-38)(35-40)(36-48)(37-43)(39-44)(41-47)(42-48)(43-53)(44-54)(45-49)(45-52)(46-50)(46-52)(47-53)(48-54)(49-55)(50-55)(51-52)(51-56)(51-57)(53-58)(54-58)(55-58)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 18 | — | 10.1016/j.jinorgbio.2022.11185... | 2022 |
| HeLa | 22 | — | 10.1016/j.jinorgbio.2022.11185... | 2022 |
| PC-3 | 51 | 45 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| BEAS-2B | 68 | — | 10.1016/j.jinorgbio.2022.11185... | 2022 |
| HCT-116 | 85 | 4.5 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| HeLa | — | 51 | 10.1021/acs.inorgchem.3c02942 | 2023 |
🧬 Cell Death Types (1)
Apoptosis
medium
«after PDT treatment, it elicits cell shrinkage, membrane blebbing, and DNA fragmentation»
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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