home← all complexes Ir builderC^N familiesD-MPNN

Complex #619 — Ru(2) [PMC79]

2D Structure

Structure
⬇ MOL V3000

Info

ID619
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "P": 1}
AbbreviationPMC79
SMILESOCc1ccnc(-c2cc(CO)ccn2)c1.c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C35H32N2O2PRu/(1-34)(2-33)(3-36)(4-46)(5-35)(6-44)(7-51)(8-48)(9-52)(10-45)(11-49)(12-56)(13-40)(14-60)(15-63)(16-37)(17-38)(18-39)(19-41)(20-47)(21-50)(22-53)(23-54)(24-42)(25-64)(26-55)(27-59)(28-43)(29-63)(30-64)(31-71)(32-70)(33-34)(33-36)(34-65)(35-36)(35-46)(37-38)(37-39)(38-41)(39-42)(40-57)(40-62)(41-42)(43-57)(43-59)(44-48)(44-51)(45-48)(45-52)(46-65)(47-49)(47-53)(49-50)(50-54)(51-66)(52-66)(53-67)(54-67)(55-58)(55-61)(56-58)(56-60)(57-63)(58-64)(59-69)(60-68)(61-62)(61-68)(62-69)(63-71)(64-70)(65-72)(66-72)(67-72)(68-73)(69-73)(71-73)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-70.3 10.1016/j.jinorgbio.2023.11243... 2024
MDA-MB-2312.1 10.1016/j.ejmech.2019.02.061 2019
MDA-MB-2312.2 10.1016/j.jinorgbio.2023.11243... 2024
RKO3 10.3390/pharmaceutics15061731 2023
A27803.9 10.1016/j.ejmech.2019.02.061 2019
MCF-74.6 10.1016/j.ejmech.2018.12.022 2019
MCF-75.9 10.1016/j.ejmech.2019.02.061 2019
MDA-MB-23114 10.1016/j.ejmech.2018.12.022 2019
V7925 10.1016/j.jinorgbio.2023.11243... 2024
SW48040 10.3390/pharmaceutics15061731 2023
NCM46044 10.3390/pharmaceutics15061731 2023

🧬 Cell Death Types (1)

Apoptosis high
«The conjugate PMC3 induced apoptosis at low concentrations comparing to cisplatin and could overcame the platinum resistance of A2780cis 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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