Info
| ID | 5975 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)c1nc(-c3ccc(N4CCOCC4)cc3)[nH]c1c1cccnc12 |
TUCAN
C45H35IrN7O/(1-44)(2-42)(3-69)(4-58)(5-45)(6-51)(7-67)(8-47)(9-39)(10-50)(11-55)(12-69)(13-79)(14-48)(15-79)(16-53)(17-54)(18-38)(19-80)(20-65)(21-80)(22-70)(23-46)(24-70)(25-66)(26-57)(27-49)(28-68)(29-59)(30-40)(31-56)(32-43)(33-41)(34-52)(35-82)(36-40)(36-61)(37-43)(37-64)(38-46)(38-66)(39-47)(39-63)(40-49)(41-45)(41-49)(42-51)(42-67)(43-59)(44-51)(44-74)(45-61)(46-60)(47-73)(48-55)(48-65)(50-52)(50-64)(52-59)(53-54)(53-63)(54-73)(55-62)(56-57)(56-68)(57-58)(58-77)(60-71)(60-72)(61-74)(62-75)(62-76)(63-78)(64-77)(65-81)(66-84)(67-86)(68-87)(69-79)(69-83)(70-80)(70-83)(71-75)(71-85)(72-76)(72-84)(73-83)(74-86)(75-82)(76-81)(77-87)(78-82)(78-85)(79-88)(80-88)(84-89)(85-89)(86-89)(87-89)(88-89)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | — | 14 | 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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