home← all complexes Ir builderC^N familiesD-MPNN

Complex #5194 — Ir(3) [Ir1]

2D Structure

Structure
⬇ MOL V3000

Info

ID5194
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationIr1
SMILESC(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)\c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C43H30IrN6/(1-38)(2-33)(3-63)(4-37)(5-35)(6-36)(7-45)(8-39)(9-51)(10-40)(11-57)(12-41)(13-55)(14-54)(15-66)(16-56)(17-48)(18-34)(19-52)(20-44)(21-42)(22-64)(23-47)(24-49)(25-65)(26-53)(27-43)(28-50)(29-46)(30-75)(31-37)(31-58)(32-43)(32-61)(33-35)(33-37)(34-38)(34-67)(35-39)(36-38)(36-63)(39-58)(40-41)(40-62)(41-57)(42-55)(42-60)(43-52)(44-50)(44-51)(45-52)(45-53)(46-54)(46-73)(47-56)(47-59)(48-49)(48-57)(49-62)(50-68)(51-65)(53-61)(54-62)(55-66)(56-64)(58-67)(59-69)(59-71)(60-70)(60-72)(61-68)(63-76)(64-74)(65-77)(66-79)(67-76)(68-77)(69-70)(69-75)(70-78)(71-72)(71-74)(72-79)(73-75)(73-78)(76-80)(77-80)(78-80)(79-80)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-79015.8— 10.1007/s00775-022-01943-6 2022
A5496.8— 10.1007/s00775-022-01943-6 2022
NIH-3T312— 10.1007/s00775-022-01943-6 2022
HeLa14— 10.1007/s00775-022-01943-6 2022
HepG226— 10.1007/s00775-022-01943-6 2022
22Rv12e+028.5 10.1021/acs.inorgchem.0c01509 2020
22Rv12e+026.5 10.1021/acs.inorgchem.0c01509 2020
MCF-72.2e+027.9 10.1021/acs.inorgchem.0c01509 2020
MCF-72.2e+025.5 10.1021/acs.inorgchem.0c01509 2020
A5493.6e+025.4 10.1021/acs.inorgchem.0c01509 2020
A5493.6e+023.7 10.1021/acs.inorgchem.0c01509 2020

🧬 Cell Death Types (1)

Apoptosis medium
«Importantly, they could induce cell apoptosis upon TP irradiation with very high PIs in comparison to similar complexes.»

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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