home← all complexes Ir builderC^N familiesD-MPNN

Complex #451 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID451
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 1}
Abbreviation5
SMILESCc1ccc(C(C)C)cc1.[Cl-].[O-]c1c(I)cc(Cl)c2cccnc12

TUCAN

C19Cl2INORu/(1-12)(2-11)(3-11)(4-5)(4-12)(5-13)(6-10)(6-12)(7-8)(7-15)(8-14)(9-18)(9-19)(10-13)(11-13)(14-16)(14-18)(15-20)(16-17)(16-20)(17-19)(17-21)(18-23)(19-25)

Measurements (16)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MRC-53 10.3390/ph14060518 2021
SK-OV-33.2 10.1039/c9dt00866g 2019
HeLa4.4 10.1039/c9dt00866g 2019
NCI-H4605.6 10.1021/acs.organomet.5b00868 2015
HCT-1167.7 10.1021/acs.organomet.5b00868 2015
Caco-28.2 10.1016/j.jphotobiol.2017.11.0... 2018
MCF-78.4 10.1016/j.jphotobiol.2017.11.0... 2018
SiHa8.5 10.1021/acs.organomet.5b00868 2015
HeLa9 10.1016/j.jphotobiol.2017.11.0... 2018
COLO-32014 10.3390/ph14060518 2021
HIO8014 10.3389/fphar.2022.920379 2022
COV36218 10.3389/fphar.2022.920379 2022
T2421 10.1039/c9dt00866g 2019
COLO-20521 10.3390/ph14060518 2021
OVCAR-428 10.3389/fphar.2022.920379 2022
HL-770286 10.1039/c9dt00866g 2019

🧬 Cell Death Types (1)

Apoptosis high
«It was found, that complexes 1 and 2 trigger early apoptosis by producing ROS resulting in good selectivity towards cancer cells with IC50 values in the low micromolar range.»

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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