Info
| ID | 4867 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "S": 1} |
| Abbreviation | Ir4 |
| SMILES | CCN(CC)C(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C27H26IrN3S2/(1-34)(2-37)(3-47)(4-31)(5-42)(6-41)(7-32)(8-44)(9-48)(10-43)(11-27)(12-49)(13-27)(14-49)(15-27)(16-35)(17-40)(18-33)(19-39)(20-38)(21-36)(22-28)(23-28)(24-50)(25-50)(26-28)(27-49)(28-50)(29-35)(29-45)(30-39)(30-46)(31-32)(31-47)(32-33)(33-51)(34-37)(34-45)(35-42)(36-43)(36-52)(37-42)(38-43)(38-48)(39-44)(40-41)(40-44)(41-46)(45-51)(46-52)(47-55)(48-56)(49-54)(50-54)(51-55)(52-56)(53-54)(53-57)(53-58)(55-59)(56-59)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 16 | — | 10.1016/j.jinorgbio.2022.11185... | 2022 |
| BEAS-2B | 18 | — | 10.1016/j.jinorgbio.2022.11185... | 2022 |
| A549 | 25 | — | 10.1016/j.jinorgbio.2022.11185... | 2022 |
| HCT-116 | 50 | 1.8 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| HeLa | 87 | 23 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| PC-3 | — | — | 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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