Info
| ID | 5851 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir3 |
| SMILES | FC(F)(F)c1ccc(Cn2c(-c3[c-]cc(-c4ccc(C(F)(F)F)cc4)s3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cc(-c4ccc(C(F)(F)F)cc4)s3)nc3ccccc32)cc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C70H40F12IrN8S2/(1-60)(2-45)(3-48)(4-89)(5-47)(6-69)(7-88)(8-87)(9-50)(10-56)(11-58)(12-55)(13-72)(14-51)(15-89)(16-62)(17-49)(18-53)(19-59)(20-46)(21-61)(22-57)(23-43)(24-44)(25-65)(26-67)(27-73)(28-52)(29-90)(30-54)(31-70)(32-74)(33-66)(34-90)(35-64)(36-63)(37-68)(38-71)(39-76)(40-75)(41-49)(41-107)(42-52)(42-110)(43-45)(43-98)(44-56)(44-94)(45-60)(46-61)(46-87)(47-53)(47-80)(48-51)(48-79)(49-108)(50-69)(50-81)(51-77)(52-109)(53-85)(54-55)(54-85)(55-80)(56-70)(57-60)(57-91)(58-65)(58-74)(59-62)(59-79)(61-78)(62-77)(63-72)(63-86)(64-66)(64-84)(65-96)(66-82)(67-70)(67-92)(68-75)(68-84)(69-88)(71-76)(71-86)(72-83)(73-74)(73-97)(75-82)(76-83)(77-89)(78-95)(78-100)(79-104)(80-108)(81-93)(81-99)(82-105)(83-109)(84-90)(85-103)(86-106)(87-117)(88-112)(89-113)(90-114)(91-98)(91-116)(92-94)(92-115)(93-100)(93-112)(94-113)(95-99)(95-116)(96-97)(96-114)(97-118)(98-111)(99-111)(100-117)(101-107)(101-113)(101-115)(102-110)(102-114)(102-118)(103-119)(103-120)(103-121)(104-122)(104-125)(104-127)(105-128)(105-129)(105-130)(106-123)(106-124)(106-126)(107-131)(108-131)(109-132)(110-132)(115-133)(116-133)(117-133)(118-133)(131-133)(132-133)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | 1.2 | 10.1021/acs.jmedchem.3c01978 | 2023 |
| HCT-116 | — | 1.6 | 10.1021/acs.jmedchem.3c01978 | 2023 |
| A375 | — | 0.9 | 10.1021/acs.jmedchem.3c01978 | 2023 |
| MRC-5 | — | — | 10.1021/acs.jmedchem.3c01978 | 2023 |
🧬 Cell Death Types (1)
Oncosis
high
«when irradiated, the complexes induced leakage of lysosomal content into the cytoplasm of HeLa cancer cells and induced oncosis-like cell death.»
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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