Info
| ID | 5862 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 7 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1ccc(Cn2ccnc2)cc1 |
TUCAN
C39H35IrN5/(1-48)(2-53)(3-36)(4-36)(5-36)(6-37)(7-37)(8-67)(9-43)(10-74)(11-45)(12-55)(13-68)(14-42)(15-54)(16-47)(17-50)(18-46)(19-65)(20-44)(21-37)(22-38)(23-38)(24-38)(25-39)(26-51)(27-66)(28-49)(29-68)(30-52)(31-39)(32-39)(33-40)(34-40)(35-40)(36-57)(37-58)(38-59)(39-60)(40-61)(41-50)(41-62)(42-43)(42-63)(43-44)(44-49)(45-55)(45-56)(46-47)(46-69)(47-53)(48-53)(48-72)(49-54)(50-52)(51-52)(51-64)(54-63)(55-67)(56-70)(56-73)(57-58)(57-59)(58-60)(59-61)(60-61)(62-64)(62-73)(63-68)(64-71)(65-66)(65-76)(66-78)(67-79)(68-76)(69-72)(69-77)(70-71)(70-77)(71-75)(72-75)(73-79)(74-76)(74-78)(77-80)(78-80)(79-80)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.77 | 0.65 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 0.77 | 0.47 | 10.1021/acs.jmedchem.3c01276 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«Consequently, cell death by apoptosis and secondary necrosis is activated.»
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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