home← all complexes Ir builderC^N familiesD-MPNN

Complex #5243 — Ir(3) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID5243
MetalIr
Oxidation state3
Charge1
Donor atoms{"O": 1, "N": 4}
Abbreviation1
SMILESO=[N+]([O-])c1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C34H23IrN5O2/(1-49)(2-27)(3-39)(4-50)(5-33)(6-28)(7-34)(8-26)(9-41)(10-37)(11-44)(12-51)(13-30)(14-40)(15-29)(16-42)(17-43)(18-52)(19-31)(20-35)(21-32)(22-38)(23-36)(24-34)(24-45)(25-37)(25-47)(26-28)(26-39)(27-29)(27-34)(28-53)(29-33)(30-31)(30-51)(31-48)(32-37)(32-38)(33-45)(35-40)(35-41)(36-44)(36-52)(38-42)(39-49)(40-50)(41-56)(42-47)(43-46)(43-57)(44-46)(45-53)(46-54)(47-56)(48-55)(48-57)(49-59)(50-60)(51-62)(52-61)(53-59)(54-55)(54-61)(55-62)(56-60)(57-58)(58-63)(58-64)(59-65)(60-65)(61-65)(62-65)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-79013.6— 10.3390/molecules24173129 2019
A54914— 10.3390/molecules24173129 2019
NIH-3T315— 10.3390/molecules24173129 2019
HeLa16— 10.3390/molecules24173129 2019
EC10920— 10.3390/molecules24173129 2019
BEL-740223— 10.3390/molecules24173129 2019
HepG231— 10.3390/molecules24173129 2019

🧬 Cell Death Types (1)

Apoptosis high
«The results reveal that these complexes can indeed induce apoptosis, with 1 displaying the highest apoptotic effect.»

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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