home← all complexes Ir builderC^N familiesD-MPNN

Complex #5970 — Ir(3) [1c]

2D Structure

Structure
⬇ MOL V3000

Info

ID5970
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 7}
Abbreviation1c
SMILESNc1cc(Br)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12

TUCAN

C45H28BrIrN7/(1-34)(2-61)(3-43)(4-64)(5-35)(6-41)(7-47)(8-42)(9-50)(10-51)(11-38)(12-62)(13-39)(14-48)(15-31)(16-32)(17-49)(18-44)(19-40)(20-63)(21-37)(22-45)(23-46)(24-36)(25-33)(26-74)(27-74)(28-76)(29-34)(29-52)(30-45)(30-53)(31-32)(31-55)(32-54)(33-36)(33-56)(34-41)(35-43)(35-54)(36-57)(37-39)(37-62)(38-40)(38-63)(39-60)(40-59)(41-42)(42-55)(43-61)(44-51)(44-73)(45-48)(46-48)(46-57)(47-49)(47-64)(49-56)(50-67)(50-73)(51-58)(52-55)(52-65)(53-57)(53-66)(54-65)(56-66)(58-67)(58-72)(59-70)(59-71)(60-68)(60-69)(61-77)(62-75)(63-79)(64-78)(65-77)(66-78)(67-74)(68-71)(68-75)(69-70)(69-76)(70-80)(71-79)(72-76)(72-80)(73-81)(77-82)(78-82)(79-82)(80-82)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B16—— 10.1016/j.ejmech.2023.116112 2024
HCT-116—— 10.1016/j.ejmech.2023.116112 2024
HepG2—— 10.1016/j.ejmech.2023.116112 2024
A549—— 10.1016/j.ejmech.2023.116112 2024
HeLa—— 10.1016/j.ejmech.2023.116112 2024
LO2—— 10.1016/j.ejmech.2023.116112 2024

🧬 Cell Death Types (3)

Apoptosis high
«our investigation illuminated the mitochondrial accumulation of these liposomal entities, 1alip, 1blip, and 1clip, evoking apoptosis through the mitochondrial dysfunction mediated by reactive oxygen s...»
Ferroptosis high
«The ferroptosis was confirmed by decrease in glutathione (GSH) concentrations, the downregulation of glutathione peroxidase 4 (GPX4), increase of high mobility group protein 1 (HMGB1), and lipid perox...»
Pyroptosis high
«Simultaneously, pyroptosis as another mode of cell death was undertaken. RNA-sequencing was employed to investigate intricate signalling pathways.»

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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