Info
| ID | 5979 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir6 |
| SMILES | C[N+]1(C)CCN(c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)CC1.Fc1[c-]c(-c2ccccn2)cc(F)c1.Fc1[c-]c(-c2ccccn2)cc(F)c1 |
TUCAN
C47H37F4IrN8/(1-41)(2-43)(3-47)(4-54)(5-55)(6-53)(7-45)(8-44)(9-40)(10-68)(11-48)(12-65)(13-57)(14-49)(15-63)(16-63)(17-63)(18-64)(19-64)(20-64)(21-66)(22-69)(23-71)(24-71)(25-46)(26-69)(27-42)(28-52)(29-70)(30-51)(31-56)(32-72)(33-67)(34-72)(35-50)(36-70)(37-86)(38-58)(38-83)(39-59)(39-84)(40-41)(40-65)(41-44)(42-81)(42-83)(43-58)(43-81)(44-73)(45-46)(45-61)(46-67)(47-48)(47-60)(48-76)(49-55)(49-77)(50-59)(50-82)(51-82)(51-84)(52-55)(52-66)(53-56)(53-60)(54-57)(54-68)(56-76)(57-62)(58-73)(59-77)(60-80)(61-74)(61-79)(62-75)(62-78)(63-88)(64-88)(65-89)(66-92)(67-85)(68-91)(69-71)(69-88)(70-72)(70-88)(71-87)(72-87)(73-89)(74-75)(74-85)(75-91)(76-87)(77-92)(78-79)(78-90)(79-86)(80-86)(80-90)(81-93)(82-96)(83-94)(84-95)(89-97)(90-97)(91-97)(92-97)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | 1.1e+02 | 0.35 | 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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