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Complex #6046 — Ir(3) [Ir2]

2D Structure

Structure
⬇ MOL V3000

Info

ID6046
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 8}
AbbreviationIr2
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1cnc2c(c1)c1nc(-c3ccc4nccnc4c3)[nH]c1c1cccnc12

TUCAN

C43H24F4IrN8/(1-37)(2-40)(3-52)(4-49)(5-42)(6-28)(7-29)(8-30)(9-34)(10-31)(11-33)(12-43)(13-53)(14-32)(15-36)(16-27)(17-50)(18-51)(19-39)(20-38)(21-54)(22-35)(23-41)(24-71)(25-42)(25-44)(26-43)(26-48)(27-38)(27-50)(28-33)(28-40)(29-64)(29-65)(30-36)(30-41)(31-37)(31-49)(32-47)(32-60)(33-55)(34-39)(34-56)(35-66)(35-67)(36-62)(37-46)(38-45)(39-47)(40-51)(41-54)(42-65)(43-66)(44-55)(44-64)(45-58)(45-61)(46-57)(46-59)(47-63)(48-62)(48-67)(49-68)(50-73)(51-74)(52-53)(52-69)(53-70)(54-75)(55-74)(56-60)(56-69)(57-61)(57-68)(58-59)(58-72)(59-71)(60-70)(61-73)(62-75)(63-71)(63-72)(64-76)(65-77)(66-78)(67-79)(72-80)(73-80)(74-80)(75-80)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG21.7— 10.1016/j.bioorg.2023.106837 2023
LLC1.7— 10.1016/j.bioorg.2023.106837 2023
K7M2-wt1.7— 10.1016/j.bioorg.2023.106837 2023
Hepa1-62— 10.1016/j.bioorg.2023.106837 2023
A5492.1— 10.1016/j.bioorg.2023.106837 2023
MCF-72.2— 10.1016/j.bioorg.2023.106837 2023
LO22.2— 10.1016/j.bioorg.2023.106837 2023
HeLa2.6— 10.1016/j.bioorg.2023.106837 2023
MB492.6— 10.1016/j.bioorg.2023.106837 2023
4T12.8— 10.1016/j.bioorg.2023.106837 2023
A549cisR3.3— 10.1016/j.bioorg.2023.106837 2023

🧬 Cell Death Types (2)

Immunogenic Cell Death high
«Notably, Ir1 also induced immunogenic cell death (ICD), promoted dendritic cell maturation...»
Paraptosis high
«Ir1 localized in the lysosome, where it induced paraptosis and endoplasmic reticulum stress (ER stress).»

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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