Info
| ID | 6038 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | IrL3 |
| SMILES | COC(=O)c1c[c-]c(-c2cc(C(=O)OC)ccn2)cc1.COC(=O)c1c[c-]c(-c2cc(C(=O)OC)ccn2)cc1.Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C48H35IrN7O8/(1-38)(2-49)(3-43)(4-41)(5-76)(6-63)(7-65)(8-44)(9-66)(10-39)(11-78)(12-45)(13-54)(14-77)(15-40)(16-48)(17-79)(18-76)(19-79)(20-51)(21-64)(22-78)(23-78)(24-53)(25-52)(26-77)(27-77)(28-46)(29-79)(30-42)(31-47)(32-50)(33-76)(34-84)(35-84)(36-41)(36-59)(37-52)(37-58)(38-40)(38-57)(39-60)(39-66)(40-64)(41-55)(42-47)(42-55)(43-61)(43-63)(44-68)(44-74)(45-54)(45-62)(46-51)(46-68)(47-59)(48-49)(48-56)(49-65)(50-61)(50-69)(51-73)(52-62)(53-60)(53-75)(54-58)(55-83)(56-70)(56-71)(57-67)(57-72)(58-75)(59-69)(60-80)(61-81)(62-82)(63-88)(64-85)(65-87)(66-90)(67-70)(67-85)(68-84)(69-88)(70-87)(71-72)(71-89)(72-86)(73-74)(73-89)(74-86)(75-90)(76-97)(77-96)(78-98)(79-95)(80-94)(80-98)(81-91)(81-95)(82-92)(82-96)(83-93)(83-97)(87-99)(88-99)(89-99)(90-99)(96-99)(97-99)(98-99)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | — | — | 10.1002/smll.202406809 | 2025 |
| MCF-7 | — | — | 10.1002/smll.202406809 | 2025 |
| A549 | — | — | 10.1002/smll.202406809 | 2025 |
| PC-3 | — | — | 10.1002/smll.202406809 | 2025 |
| HCT-116 | — | — | 10.1002/smll.202406809 | 2025 |
| HEK293 | — | — | 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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