Info
| ID | 5196 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C44H32IrN6O/(1-64)(2-35)(3-38)(4-40)(5-48)(6-55)(7-36)(8-66)(9-39)(10-47)(11-37)(12-44)(13-53)(14-52)(15-75)(16-75)(17-75)(18-56)(19-51)(20-43)(21-67)(22-42)(23-46)(24-58)(25-45)(26-57)(27-49)(28-65)(29-50)(30-54)(31-41)(32-78)(33-35)(33-59)(34-55)(34-60)(35-47)(36-39)(36-64)(37-46)(37-66)(38-40)(38-47)(39-45)(40-59)(41-44)(41-60)(42-50)(42-61)(43-49)(43-65)(44-53)(45-68)(46-54)(48-56)(48-76)(49-63)(50-67)(51-57)(51-74)(52-58)(52-76)(53-55)(54-72)(56-62)(57-62)(58-62)(59-68)(60-72)(61-69)(61-71)(63-70)(63-73)(64-79)(65-80)(66-82)(67-77)(68-79)(69-70)(69-78)(70-81)(71-73)(71-77)(72-82)(73-80)(74-78)(74-81)(75-83)(76-83)(79-84)(80-84)(81-84)(82-84)(83-84)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 1.6e+02 | 4.3 | 10.1021/acs.inorgchem.0c01509 | 2020 |
| MCF-7 | 1.6e+02 | 2.8 | 10.1021/acs.inorgchem.0c01509 | 2020 |
| 22Rv1 | 1.9e+02 | 6.4 | 10.1021/acs.inorgchem.0c01509 | 2020 |
| 22Rv1 | 1.9e+02 | 4.5 | 10.1021/acs.inorgchem.0c01509 | 2020 |
| A549 | 2.4e+02 | 1.4 | 10.1021/acs.inorgchem.0c01509 | 2020 |
| A549 | 2.4e+02 | 0.96 | 10.1021/acs.inorgchem.0c01509 | 2020 |
🧬 Cell Death Types (1)
Apoptosis
medium
«Importantly, they could induce cell apoptosis upon TP irradiation with very high PIs in comparison to similar complexes.»
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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