Info
| ID | 4968 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 4 |
| SMILES | FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1 |
TUCAN
C64H40F6IrN8/(1-71)(2-43)(3-68)(4-47)(5-52)(6-70)(7-54)(8-60)(9-57)(10-55)(11-45)(12-61)(13-75)(14-89)(15-56)(16-87)(17-88)(18-58)(19-66)(20-72)(21-46)(22-62)(23-59)(24-63)(25-73)(26-89)(27-50)(28-48)(29-51)(30-90)(31-44)(32-90)(33-53)(34-67)(35-49)(36-64)(37-69)(38-76)(39-74)(40-65)(41-57)(41-80)(42-75)(42-82)(43-85)(43-95)(44-66)(44-79)(45-61)(45-94)(46-60)(46-80)(47-52)(47-81)(48-53)(48-61)(49-65)(49-82)(50-67)(50-96)(51-79)(51-91)(52-78)(53-98)(54-72)(54-77)(55-58)(55-78)(56-68)(56-87)(57-62)(58-81)(59-63)(59-86)(60-62)(63-83)(64-74)(64-83)(65-73)(66-70)(67-69)(68-84)(69-76)(70-71)(71-85)(72-88)(73-75)(74-86)(76-100)(77-93)(77-99)(78-103)(79-85)(80-101)(81-89)(82-102)(83-90)(84-92)(84-97)(86-104)(87-106)(88-112)(89-107)(90-108)(91-95)(91-111)(92-99)(92-105)(93-97)(93-112)(94-98)(94-107)(95-105)(96-100)(96-108)(97-106)(98-109)(99-111)(100-110)(101-107)(101-109)(102-108)(102-110)(103-113)(103-114)(103-115)(104-116)(104-117)(104-118)(109-119)(110-119)(111-119)(112-119)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 20 | — | 10.1002/chem.201705362 | 2018 |
| A2780cisR | 20 | — | 10.1002/chem.201705362 | 2018 |
| MCF-7 | 23 | — | 10.1002/chem.201705362 | 2018 |
| MCF-10A | 40 | — | 10.1002/chem.201705362 | 2018 |
| HeLa | — | — | 10.1002/chem.201705362 | 2018 |
🧬 Cell Death Types (2)
Apoptosis
medium
«Presumably, [1a]Cl and [3a]Cl induce death on cancer cells under irradiation through apoptosis triggered by a multimodal mechanism of action, which likely involves damage over mitochondrial DNA and mi...»
Immunogenic Cell Death
low
«No explicit evidence found.»
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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