Info
| ID | 5995 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.c1ccc([P+](CCCCOc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C65H54IrN6OP/(1-116)(2-94)(3-104)(4-59)(5-70)(6-86)(7-90)(8-103)(9-60)(10-116)(11-106)(12-114)(13-61)(14-63)(15-85)(16-69)(17-64)(18-65)(19-66)(20-71)(21-74)(22-75)(23-72)(24-73)(25-95)(26-76)(27-67)(28-95)(29-81)(30-78)(31-62)(32-80)(33-83)(34-114)(35-94)(36-77)(37-87)(38-79)(39-82)(40-68)(41-91)(42-92)(43-105)(44-84)(45-89)(46-93)(47-55)(48-55)(49-55)(50-56)(51-56)(52-88)(53-56)(54-121)(55-98)(56-101)(57-68)(57-97)(58-88)(58-102)(59-75)(59-115)(60-61)(60-117)(61-70)(62-67)(62-104)(63-86)(63-108)(64-66)(64-70)(65-72)(65-74)(66-117)(67-96)(68-98)(69-86)(69-103)(71-74)(71-76)(72-118)(73-81)(73-115)(75-99)(76-118)(77-80)(77-106)(78-79)(78-83)(79-82)(80-100)(81-99)(82-87)(83-119)(84-89)(84-105)(85-90)(85-97)(87-119)(88-101)(89-91)(90-98)(91-110)(92-93)(92-102)(93-101)(94-95)(94-116)(95-114)(96-109)(96-112)(97-108)(99-113)(100-107)(100-111)(102-110)(103-122)(104-120)(105-125)(106-124)(107-112)(107-123)(108-122)(109-111)(109-120)(110-125)(111-124)(112-121)(113-121)(113-123)(114-126)(115-126)(116-127)(117-127)(118-127)(119-127)(122-128)(123-128)(124-128)(125-128)(126-128)(127-128)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 4.2 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| HeLa | 5.9 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
| BEAS-2B | 46 | — | 10.1016/j.bioorg.2025.108148 | 2025 |
🧬 Cell Death Types (1)
Apoptosis
high
«Mechanistic studies confirmed that these complexes selectively target mitochondria ... leading to ... activation of intrinsic apoptosis pathways.»
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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