Info
| ID | 5788 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | IrBzq@OH |
| SMILES | OCc1ccnc(-c2cc(CO)ccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C38H28IrN4O2/(1-58)(2-42)(3-31)(4-33)(5-43)(6-35)(7-32)(8-36)(9-45)(10-44)(11-34)(12-41)(13-47)(14-65)(15-65)(16-57)(17-60)(18-66)(19-59)(20-46)(21-37)(22-48)(23-38)(24-39)(25-40)(26-66)(27-71)(28-72)(29-35)(29-49)(30-39)(30-52)(31-43)(31-50)(32-33)(32-58)(33-51)(34-54)(34-62)(35-42)(36-42)(36-50)(37-45)(37-55)(38-44)(38-59)(39-46)(40-46)(40-55)(41-54)(41-57)(43-51)(44-53)(45-53)(47-56)(47-64)(48-56)(48-60)(49-50)(49-61)(51-61)(52-55)(52-63)(53-63)(54-65)(56-66)(57-67)(58-68)(59-69)(60-70)(61-68)(62-64)(62-67)(63-69)(64-70)(65-71)(66-72)(67-73)(68-73)(69-73)(70-73)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 12 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HepG2 | 16 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 18 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 24 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| WRL68 | 36 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«activate a cascade of mitochondria-mediated cell death events, and arrest the cell cycle in S-phase which leads to apoptosis.»
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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