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Complex #5105 — Ir(3) [Ir-1]

2D Structure

Structure
⬇ MOL V3000

Info

ID5105
MetalIr
Oxidation state3
Charge1
Donor atoms{"O": 1, "N": 6}
AbbreviationIr-1
SMILESO=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C40H25IrN7O2/(1-53)(2-37)(3-28)(4-32)(5-29)(6-31)(7-43)(8-33)(9-44)(10-47)(11-42)(12-45)(13-39)(14-56)(15-38)(16-30)(17-36)(18-48)(19-41)(20-54)(21-46)(22-34)(23-40)(24-55)(25-35)(26-32)(26-49)(27-47)(27-50)(28-29)(28-53)(29-43)(30-34)(30-49)(31-33)(31-44)(32-37)(33-55)(34-37)(35-36)(35-42)(36-50)(38-46)(38-51)(39-41)(39-54)(40-59)(40-61)(41-52)(42-47)(43-62)(44-63)(45-48)(45-65)(46-56)(48-59)(49-62)(50-63)(51-57)(51-58)(52-60)(52-64)(53-69)(54-72)(55-70)(56-66)(57-60)(57-66)(58-64)(58-67)(59-68)(60-72)(61-65)(61-67)(62-69)(63-70)(64-71)(65-71)(68-73)(68-74)(69-75)(70-75)(71-75)(72-75)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-79011.8— 10.1016/j.ejmech.2019.06.003 2019
A5493.6— 10.1016/j.ejmech.2019.06.003 2019
HeLa3.6— 10.1016/j.ejmech.2019.06.003 2019
EC1094.9— 10.1016/j.ejmech.2019.06.003 2019
HepG25.2— 10.1016/j.ejmech.2019.06.003 2019
BEL-74025.7— 10.1016/j.ejmech.2019.06.003 2019
NIH-3T36.4— 10.1016/j.ejmech.2019.06.003 2019

🧬 Cell Death Types (2)

Apoptosis high
«AO/EB staining and flow apoptosis confirmed that SGC-7901 cells were caused apoptosis after being treated with the complexes.»
Autophagy high
«the complexes Ir-1-Ir-3 can induce autophagy with the formation of autophagic vacuoles.»

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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