Info
| ID | 5942 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir1 |
| 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-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C58H63IrN5O4/(1-90)(2-65)(3-76)(4-94)(5-104)(6-78)(7-74)(8-93)(9-66)(10-69)(11-65)(12-65)(13-86)(14-83)(15-109)(16-70)(17-82)(18-103)(19-71)(20-72)(21-79)(22-105)(23-101)(24-64)(25-64)(26-106)(27-87)(28-111)(29-95)(30-95)(31-80)(32-90)(33-64)(34-88)(35-112)(36-96)(37-88)(38-85)(39-96)(40-89)(41-91)(42-118)(43-94)(44-119)(45-92)(46-66)(47-110)(48-75)(49-84)(50-120)(51-89)(52-102)(53-91)(54-92)(55-93)(56-66)(57-73)(58-77)(59-81)(60-122)(61-129)(62-130)(63-128)(64-101)(65-108)(66-107)(67-71)(67-97)(68-77)(68-98)(69-71)(69-78)(70-72)(70-76)(72-109)(73-79)(73-110)(74-78)(74-97)(75-77)(75-86)(76-113)(79-82)(80-85)(80-99)(81-100)(81-114)(82-116)(83-86)(83-98)(84-87)(84-100)(85-112)(87-111)(88-95)(88-101)(89-102)(89-120)(90-96)(90-103)(91-102)(91-118)(92-94)(92-118)(93-104)(93-119)(94-107)(95-121)(96-106)(97-113)(98-116)(99-114)(99-117)(100-115)(101-106)(102-107)(103-105)(103-108)(104-105)(104-107)(105-120)(106-108)(108-119)(109-123)(110-124)(111-126)(112-125)(113-123)(114-122)(115-117)(115-126)(116-124)(117-125)(118-128)(119-129)(120-130)(121-122)(121-127)(123-131)(124-131)(125-131)(126-131)(130-131)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 6.8 | 0.098 | 10.1016/j.jinorgbio.2024.11269... | 2024 |
| 4T1 | 10 | 2.4 | 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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.