home← all complexes Ir builderC^N familiesD-MPNN

Complex #6045 — Ir(3) [Ir1]

2D Structure

Structure
⬇ MOL V3000

Info

ID6045
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 8}
AbbreviationIr1
SMILES[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1cnc2c(c1)c1nc(-c3ccc4nccnc4c3)[nH]c1c1cccnc12

TUCAN

C51H32IrN8/(1-35)(2-53)(3-55)(4-42)(5-48)(6-46)(7-36)(8-69)(9-40)(10-39)(11-43)(12-44)(13-57)(14-73)(15-45)(16-54)(17-74)(18-37)(19-47)(20-71)(21-56)(22-38)(23-72)(24-70)(25-58)(26-50)(27-49)(28-41)(29-59)(30-51)(31-52)(32-87)(33-39)(33-63)(34-59)(34-68)(35-65)(35-69)(36-46)(36-65)(37-47)(37-66)(38-45)(38-46)(39-48)(40-42)(40-48)(41-49)(41-52)(42-63)(43-49)(43-67)(44-67)(44-70)(45-60)(47-75)(50-51)(50-58)(51-68)(52-64)(53-54)(53-73)(54-62)(55-57)(55-61)(56-66)(56-81)(57-74)(58-59)(60-65)(60-76)(61-77)(61-78)(62-79)(62-82)(63-76)(64-67)(64-80)(66-83)(68-80)(69-88)(70-89)(71-72)(71-85)(72-86)(73-91)(74-84)(75-81)(75-85)(76-88)(77-79)(77-84)(78-82)(78-87)(79-91)(80-89)(81-86)(82-90)(83-87)(83-90)(88-92)(89-92)(90-92)(91-92)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG24.2— 10.1016/j.bioorg.2023.106837 2023
A5498.1— 10.1016/j.bioorg.2023.106837 2023
Hepa1-610— 10.1016/j.bioorg.2023.106837 2023
A549cisR12— 10.1016/j.bioorg.2023.106837 2023
MB4914— 10.1016/j.bioorg.2023.106837 2023
LLC14— 10.1016/j.bioorg.2023.106837 2023
MCF-718— 10.1016/j.bioorg.2023.106837 2023
K7M2-wt20— 10.1016/j.bioorg.2023.106837 2023
LO224— 10.1016/j.bioorg.2023.106837 2023
4T126— 10.1016/j.bioorg.2023.106837 2023
HeLa37— 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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.