Info
| ID | 6039 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | IrL4 |
| SMILES | COC(=O)c1ccnc(-c2[c-]cc(Oc3ccccc3)cc2)c1.COC(=O)c1ccnc(-c2[c-]cc(Oc3ccccc3)cc2)c1.Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C56H39IrN7O6/(1-64)(2-78)(3-65)(4-53)(5-52)(6-89)(7-55)(8-62)(9-47)(10-61)(11-58)(12-59)(13-49)(14-60)(15-88)(16-88)(17-50)(18-45)(19-44)(20-48)(21-42)(22-89)(23-75)(24-46)(25-89)(26-76)(27-57)(28-68)(29-51)(30-66)(31-88)(32-54)(33-56)(34-43)(35-63)(36-67)(37-77)(38-96)(39-96)(40-47)(40-70)(41-67)(41-74)(42-52)(42-61)(43-53)(43-83)(44-54)(44-78)(45-55)(45-69)(46-72)(46-76)(47-92)(48-56)(48-70)(49-59)(49-90)(50-71)(50-77)(51-60)(51-68)(52-62)(53-85)(54-73)(55-75)(56-92)(57-60)(57-93)(58-71)(58-87)(59-74)(61-63)(62-91)(63-91)(64-82)(64-85)(65-72)(65-79)(66-68)(66-93)(67-90)(69-80)(69-81)(70-79)(71-95)(72-94)(73-84)(73-86)(74-87)(75-97)(76-100)(77-99)(78-101)(79-100)(80-84)(80-97)(81-86)(81-98)(82-83)(82-98)(83-102)(84-101)(85-96)(86-102)(87-99)(88-107)(89-108)(90-106)(91-105)(92-105)(93-106)(94-103)(94-108)(95-104)(95-107)(99-109)(100-109)(101-109)(102-109)(106-109)(107-109)(108-109)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.96 | — | 10.1002/smll.202406809 | 2025 |
| MDA-MB-231 | 1.5 | — | 10.1002/smll.202406809 | 2025 |
| MCF-7 | 1.8 | — | 10.1002/smll.202406809 | 2025 |
| HEK293 | 1.8 | — | 10.1002/smll.202406809 | 2025 |
| PC-3 | 6 | — | 10.1002/smll.202406809 | 2025 |
| HCT-116 | 6.2 | — | 10.1002/smll.202406809 | 2025 |
🧬 Cell Death Types (1)
Ferroptosis
high
«In cell, investigation confirms that IrL1 nanoaggregates internalization via energy-dependent endocytosis undergo ferroptosis and ROS mediated cell death in MDA-MB-231 cells.»
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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