home← all complexes Ir builderC^N familiesD-MPNN

Complex #5964 — Ir(3) [1c]

2D Structure

Structure
⬇ MOL V3000

Info

ID5964
MetalIr
Oxidation state3
Charge1
Donor atoms{"O": 1, "N": 6}
Abbreviation1c
SMILESO=[N+]([O-])c1ccc2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C45H29IrN7O2/(1-63)(2-36)(3-32)(4-48)(5-51)(6-41)(7-44)(8-45)(9-33)(10-35)(11-37)(12-46)(13-66)(14-47)(15-52)(16-42)(17-49)(18-50)(19-65)(20-34)(21-55)(22-40)(23-43)(24-53)(25-54)(26-38)(27-64)(28-39)(29-76)(30-48)(30-56)(31-52)(31-57)(32-35)(32-63)(33-37)(33-66)(34-38)(34-56)(35-46)(36-38)(36-48)(37-47)(39-40)(39-45)(40-57)(41-50)(41-58)(42-43)(42-70)(43-62)(44-54)(44-60)(45-52)(46-71)(47-72)(49-53)(49-62)(50-53)(51-55)(51-61)(54-65)(55-64)(56-71)(57-72)(58-59)(58-62)(59-70)(59-74)(60-67)(60-68)(61-69)(61-73)(63-78)(64-75)(65-79)(66-80)(67-73)(67-79)(68-69)(68-81)(69-76)(70-77)(71-78)(72-80)(73-75)(74-76)(74-81)(77-82)(77-83)(78-84)(79-84)(80-84)(81-84)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-7402—— 10.1016/j.ejmech.2023.116078 2024
HepG2—— 10.1016/j.ejmech.2023.116078 2024
SK-Hep1—— 10.1016/j.ejmech.2023.116078 2024
LO2—— 10.1016/j.ejmech.2023.116078 2024

🧬 Cell Death Types (3)

Apoptosis medium
«Abstract: 'Taken together, the liposomes or targeted liposomes encapsulated compounds trigger cell death by way of apoptosis, autophagy, ferroptosis' and experiments on mitochondrial membrane potentia...»
Autophagy medium
«Abstract: 'Taken together, the liposomes or targeted liposomes encapsulated compounds trigger cell death by way of ... autophagy' and RNA-seq was used to examine signaling pathways, but no specific au...»
Ferroptosis high
«Title: 'induce cell death via ferroptosis on HepG2 cells.' Abstract: 'Taken together, the liposomes or targeted liposomes encapsulated compounds trigger cell death by way of ... ferroptosis'»

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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