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Complex #2007 — Ru(2) [Ru3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2007
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
AbbreviationRu3
SMILES[Cl-].c1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.c1ccc(-c2ccccn2)nc1

TUCAN

C37H27N5Ru/(1-44)(2-42)(3-58)(4-31)(5-32)(6-34)(7-28)(8-56)(9-55)(10-57)(11-30)(12-50)(13-35)(14-39)(15-33)(16-29)(17-49)(18-37)(19-40)(20-38)(21-36)(22-48)(23-41)(24-45)(25-43)(26-46)(27-47)(28-40)(28-54)(29-34)(29-35)(30-31)(30-32)(31-59)(32-55)(33-46)(33-60)(34-52)(35-45)(36-45)(36-52)(37-42)(37-62)(38-43)(38-56)(39-43)(39-63)(40-53)(41-48)(41-53)(42-49)(44-51)(44-61)(46-47)(47-57)(48-54)(49-58)(50-51)(50-64)(51-53)(52-54)(55-66)(56-65)(57-69)(58-67)(59-60)(59-66)(60-69)(61-62)(61-68)(62-67)(63-64)(63-65)(64-68)(66-70)(67-70)(68-70)(69-70)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa3.3— 10.1039/c5dt02446c 2015
A5493.7— 10.1039/c5dt02446c 2015
A549cisR4.1— 10.1039/c5dt02446c 2015
HepG25.6— 10.1039/c5dt02446c 2015
BEL-74027.4— 10.1039/c5dt02446c 2015
LO210— 10.1039/c5dt02446c 2015

🧬 Cell Death Types (1)

Apoptosis high
«Antiproliferative assay revealed that Ru3 significantly inhibited cellular DNA replication which induced ultimately apoptosis of cancer cells.»

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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