Info
| ID | 5606 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 1b |
| SMILES | Cc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C34H28IrN4O/(1-39)(2-34)(3-32)(4-33)(5-38)(6-55)(7-46)(8-36)(9-29)(10-48)(11-43)(12-54)(13-29)(14-49)(15-57)(16-44)(17-56)(18-41)(19-42)(20-37)(21-62)(22-35)(23-40)(24-47)(25-45)(26-29)(27-62)(28-67)(29-51)(30-32)(30-50)(31-35)(31-52)(32-33)(33-38)(34-36)(34-39)(35-44)(36-55)(37-51)(37-57)(38-41)(39-59)(40-46)(40-56)(41-50)(42-46)(42-60)(43-51)(43-61)(44-47)(45-47)(45-52)(48-53)(48-58)(49-53)(49-54)(50-59)(52-60)(53-62)(54-66)(55-63)(56-64)(57-65)(58-61)(58-66)(59-63)(60-64)(61-65)(62-67)(63-68)(64-68)(65-68)(66-68)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2.1 | — | 10.1002/chem.201703157 | 2017 |
| HepG2 | 3.6 | — | 10.1002/chem.201703157 | 2017 |
| A549cisR | 8.2 | — | 10.1002/chem.201703157 | 2017 |
| A549 | 14 | — | 10.1002/chem.201703157 | 2017 |
| LO2 | 18 | — | 10.1002/chem.201703157 | 2017 |
| LO2 | — | — | 10.1016/j.talanta.2025.128021 | 2025 |
🧬 Cell Death Types (1)
Apoptosis
high
«cell death induced by 1a-3a mainly occurs through the caspase-dependent apoptotic pathway»
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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