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Complex #6014 — Ir(3) [Ir-rhod]

2D Structure

Structure
⬇ MOL V3000

Info

ID6014
MetalIr
Oxidation state3
Charge2
Donor atoms{"N": 4}
AbbreviationIr-rhod
SMILESCCN(CC)c1ccc2c(c1)Oc1ccccc1C21c2ccccc2C(=O)N1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](C)c1C

TUCAN

C40H41IrN4O2/(1-61)(2-42)(3-42)(4-42)(5-62)(6-43)(7-52)(8-54)(9-43)(10-72)(11-43)(12-44)(13-53)(14-50)(15-59)(16-55)(17-44)(18-49)(19-60)(20-58)(21-56)(22-44)(23-45)(24-45)(25-45)(26-46)(27-46)(28-57)(29-51)(30-73)(31-46)(32-74)(33-74)(34-47)(35-47)(36-47)(37-48)(38-75)(39-48)(40-48)(41-75)(42-63)(43-64)(44-68)(45-69)(46-70)(47-74)(48-75)(49-55)(49-65)(50-51)(50-66)(51-58)(52-57)(52-76)(53-57)(53-72)(54-55)(54-56)(56-67)(58-59)(59-79)(60-77)(60-80)(61-62)(61-71)(62-77)(63-64)(63-68)(64-69)(65-67)(65-78)(66-78)(66-79)(67-81)(68-70)(69-70)(71-78)(71-80)(72-84)(73-76)(73-85)(74-82)(75-82)(76-84)(77-82)(78-83)(79-87)(80-87)(81-83)(81-86)(83-85)(84-88)(85-88)(87-88)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR2.3— 10.1016/j.redox.2025.103536 2025
A54916— 10.1016/j.redox.2025.103536 2025

🧬 Cell Death Types (2)

Apoptosis high
«Annexin V-FITC/PI co-staining assay (Fig. 2F and G) revealed dose-dependent apoptosis in A549R cells: 11.6% at 1.25 μM Ir-rhod, 34.6% at 2.5 μM, and 51.2% at 5 μM.»
Ferroptosis high
«To ascertain whether the cell death elicited by Ir-rhod in chemo-resistant cells proceeds via both apoptotic and ferroptotic pathways, the effects of ferroptosis and apoptosis inhibitors on the prolif...»

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.

experimental validation surface
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