Info
| ID | 5943 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir2 |
| SMILES | C[C@H](CCC(=O)Nc1cc2cccnc2c2ncccc12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C66H67IrN5O4/(1-83)(2-77)(3-90)(4-84)(5-73)(6-86)(7-74)(8-70)(9-78)(10-81)(11-85)(12-75)(13-82)(14-102)(15-76)(16-80)(17-102)(18-87)(19-104)(20-101)(21-97)(22-117)(23-121)(24-122)(25-92)(26-101)(27-130)(28-104)(29-98)(30-91)(31-68)(32-68)(33-105)(34-116)(35-68)(36-96)(37-98)(38-113)(39-105)(40-115)(41-106)(42-132)(43-100)(44-99)(45-103)(46-95)(47-70)(48-94)(49-131)(50-69)(51-69)(52-88)(53-118)(54-106)(55-100)(56-114)(57-79)(58-70)(59-89)(60-103)(61-99)(62-69)(63-93)(64-134)(65-142)(66-140)(67-141)(68-113)(69-119)(70-120)(71-77)(71-107)(72-79)(72-109)(73-78)(73-123)(74-86)(74-107)(75-76)(75-83)(76-81)(77-84)(78-108)(79-95)(80-82)(80-85)(81-125)(82-90)(83-108)(84-86)(85-126)(87-112)(87-127)(88-93)(88-111)(89-94)(89-95)(90-111)(91-96)(91-112)(92-97)(92-122)(93-124)(94-109)(96-121)(97-110)(98-104)(98-113)(99-100)(99-119)(100-132)(101-105)(101-116)(102-118)(102-130)(103-114)(103-131)(104-133)(105-117)(106-118)(106-132)(107-123)(108-125)(109-124)(110-127)(110-129)(111-126)(112-128)(113-117)(114-115)(114-119)(115-116)(115-130)(116-120)(117-120)(118-119)(120-131)(121-138)(122-137)(123-135)(124-136)(125-135)(126-136)(127-134)(128-129)(128-138)(129-137)(130-142)(131-140)(132-141)(133-134)(133-139)(135-143)(136-143)(137-143)(138-143)(142-143)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 4T1 | 3.1 | 0.18 | 10.1016/j.jinorgbio.2024.11269... | 2024 |
| MDA-MB-231 | 4.6 | 0.01 | 10.1016/j.jinorgbio.2024.11269... | 2024 |
🧬 Cell Death Types (1)
Pyroptosis
high
«This photosensitizer induces pyroptotic cell death mediated by gasdermin E (GSDME) through photodynamic means»
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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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