Info
| ID | 5977 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir4 |
| SMILES | Fc1[c-]c(-c2ccccn2)cc(F)c1.Fc1[c-]c(-c2ccccn2)cc(F)c1.c1cnc2c(c1)c1nc(-c3ccc(N4CCOCC4)cc3)[nH]c1c1cccnc12 |
TUCAN
C45H31F4IrN7O/(1-43)(2-36)(3-45)(4-61)(5-61)(6-57)(7-48)(8-59)(9-34)(10-71)(11-62)(12-37)(13-35)(14-46)(15-41)(16-62)(17-47)(18-42)(19-40)(20-49)(21-71)(22-38)(23-44)(24-58)(25-60)(26-72)(27-51)(28-39)(29-72)(30-50)(31-78)(32-55)(32-73)(33-56)(33-75)(34-36)(34-52)(35-73)(35-74)(36-63)(37-43)(37-57)(38-40)(38-53)(39-75)(39-76)(40-58)(41-48)(41-59)(42-44)(42-63)(43-54)(44-52)(45-48)(45-68)(46-51)(46-69)(47-51)(47-60)(49-55)(49-74)(50-56)(50-76)(52-70)(53-64)(53-66)(54-65)(54-67)(55-68)(56-69)(57-77)(58-81)(59-82)(60-83)(61-71)(61-79)(62-72)(62-79)(63-79)(64-67)(64-80)(65-66)(65-77)(66-81)(67-78)(68-82)(69-83)(70-78)(70-80)(71-84)(72-84)(73-86)(74-85)(75-88)(76-87)(80-89)(81-89)(82-89)(83-89)(84-89)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | — | 18 | 10.1002/adhm.202301227 | 2023 |
🧬 Cell Death Types (1)
Apoptosis
high
«They target mitochondria in human melanoma tumor cells and trigger apoptosis related to mitochondrial dysfunction upon irradiation.»
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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