Info
| ID | 5713 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "N": 3} |
| Abbreviation | Ir2@MORDTC |
| SMILES | S=C([S-])N1CCOCC1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C23H20IrN3OS4/(1-24)(2-28)(3-32)(4-39)(5-27)(6-37)(7-37)(8-33)(9-33)(10-38)(11-38)(12-34)(13-40)(14-31)(15-29)(16-25)(17-34)(18-30)(19-23)(20-26)(21-30)(21-41)(22-25)(22-42)(23-24)(23-31)(24-28)(25-39)(26-29)(26-36)(27-29)(27-32)(28-35)(30-40)(31-46)(32-45)(33-37)(33-44)(34-38)(34-44)(35-42)(35-46)(36-41)(36-45)(37-47)(38-47)(39-50)(40-51)(41-51)(42-50)(43-44)(43-48)(43-49)(45-52)(46-52)(47-52)(51-52)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 26 | 0.91 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| HeLa | — | 4.5 | 10.1021/acs.inorgchem.3c02942 | 2023 |
| PC-3 | — | 64 | 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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