Info
| ID | 5944 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir3 |
| 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-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1 |
TUCAN
C62H63IrN5O4S2/(1-92)(2-66)(3-76)(4-69)(5-94)(6-105)(7-86)(8-80)(9-95)(10-65)(11-71)(12-77)(13-82)(14-87)(15-74)(16-75)(17-104)(18-72)(19-83)(20-108)(21-90)(22-90)(23-103)(24-107)(25-89)(26-111)(27-79)(28-84)(29-78)(30-92)(31-64)(32-64)(33-96)(34-112)(35-97)(36-96)(37-64)(38-85)(39-97)(40-98)(41-91)(42-118)(43-65)(44-88)(45-119)(46-93)(47-94)(48-66)(49-70)(50-120)(51-98)(52-106)(53-91)(54-65)(55-73)(56-95)(57-93)(58-66)(59-81)(60-126)(61-133)(62-134)(63-132)(64-103)(65-109)(66-110)(67-71)(67-99)(68-73)(68-100)(69-80)(69-122)(70-81)(70-123)(71-77)(72-86)(72-113)(73-88)(74-76)(74-99)(75-82)(75-100)(76-77)(78-85)(78-101)(79-102)(79-114)(80-86)(81-87)(82-88)(83-87)(83-116)(84-89)(84-102)(85-112)(89-111)(90-96)(90-103)(91-106)(91-118)(92-97)(92-104)(93-94)(93-118)(94-109)(95-105)(95-119)(96-121)(97-107)(98-106)(98-120)(99-124)(100-125)(101-114)(101-117)(102-115)(103-107)(104-108)(104-110)(105-108)(105-109)(106-109)(107-110)(108-120)(110-119)(111-130)(112-129)(113-122)(113-127)(114-126)(115-117)(115-130)(116-123)(116-128)(117-129)(118-132)(119-133)(120-134)(121-126)(121-131)(122-135)(123-136)(124-127)(124-135)(125-128)(125-136)(127-137)(128-137)(129-137)(130-137)(134-137)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 7.6 | 0.009 | 10.1016/j.jinorgbio.2024.11269... | 2024 |
| 4T1 | 8.3 | 0.3 | 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»
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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