home← all complexes Ir builderC^N familiesD-MPNN

Complex #91 — Ru(2) [6]

2D Structure

Structure
⬇ MOL V3000

Info

ID91
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7, "P": 1}
Abbreviation6
SMILESOc1cccnc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1cnn(C(n2cccn2)n2cccn2)c1

TUCAN

C33H30N7OPRu/(1-51)(2-31)(3-33)(4-52)(5-39)(6-32)(7-40)(8-35)(9-53)(10-44)(11-48)(12-34)(13-36)(14-41)(15-46)(16-47)(17-38)(18-37)(19-45)(20-42)(21-43)(22-58)(23-50)(24-57)(25-59)(26-49)(27-54)(28-55)(29-56)(30-71)(31-32)(31-61)(32-44)(33-34)(33-61)(34-44)(35-52)(35-53)(36-40)(36-48)(37-39)(37-60)(38-41)(38-48)(39-56)(40-62)(41-62)(42-51)(42-57)(43-54)(43-58)(45-46)(45-50)(46-63)(47-49)(47-63)(49-50)(51-64)(52-69)(53-65)(54-70)(55-60)(55-68)(56-68)(57-66)(58-67)(59-65)(59-66)(59-67)(60-71)(61-72)(62-72)(63-72)(64-66)(65-69)(67-70)(68-73)(69-73)(70-73)(71-73)(72-73)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11631 10.1021/acs.jmedchem.2c00722 2022
518A238 10.1021/acs.jmedchem.2c00722 2022
RD38 10.1021/acs.jmedchem.2c00722 2022
MCF-746 10.1021/acs.jmedchem.2c00722 2022
HeLa54 10.1021/acs.jmedchem.2c00722 2022
MRC5pd3082 10.1021/acs.jmedchem.2c00722 2022

🧬 Cell Death Types (1)

Apoptosis high
«All tested complexes effectively induced apoptosis in HCT116 cells (Annexin-V-positive/PI-negative cells), whereas the percentage of cells undergoing necrosis was negligible (0.2–0.3%).»

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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