Info
| ID | 5711 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "N": 2} |
| Abbreviation | Ir1@MEDTC |
| SMILES | COC(=S)[S-].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C24H19IrN2OS2/(1-24)(2-23)(3-28)(4-38)(5-22)(6-27)(7-32)(8-29)(9-33)(10-30)(11-31)(12-42)(13-42)(14-35)(15-26)(16-25)(17-39)(18-34)(19-42)(20-27)(20-36)(21-30)(21-37)(22-23)(22-38)(23-29)(24-27)(24-28)(25-31)(25-33)(26-28)(26-36)(29-40)(30-35)(31-41)(32-34)(32-35)(33-39)(34-37)(36-40)(37-41)(38-44)(39-45)(40-44)(41-45)(42-46)(43-46)(43-47)(43-48)(44-49)(45-49)(46-49)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 40 | 27 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| PC-3 | 90 | 40 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| HeLa | — | 33 | 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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