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Complex #380 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID380
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
Abbreviation1
SMILESCC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(-c2ccccn2)nc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C50H43N2O3P2Ru/(1-53)(2-52)(3-47)(4-48)(5-55)(6-46)(7-49)(8-56)(9-82)(10-83)(11-50)(12-57)(13-59)(14-51)(15-44)(16-44)(17-58)(18-63)(19-93)(20-64)(21-62)(22-93)(23-77)(24-61)(25-54)(26-77)(27-74)(28-67)(29-69)(30-65)(31-66)(32-70)(33-72)(34-71)(35-76)(36-68)(37-73)(38-44)(39-75)(40-60)(41-45)(42-45)(43-45)(44-79)(45-79)(46-47)(46-50)(47-89)(48-49)(48-89)(49-50)(51-77)(51-79)(52-53)(52-82)(53-72)(54-61)(54-80)(55-56)(55-90)(56-57)(57-58)(58-63)(59-62)(59-67)(60-61)(60-75)(62-64)(63-90)(64-91)(65-67)(65-91)(66-69)(66-92)(68-69)(68-70)(70-71)(71-92)(72-84)(73-74)(73-76)(74-83)(75-81)(76-85)(77-78)(78-86)(78-87)(80-81)(80-88)(81-86)(82-94)(83-95)(84-85)(84-94)(85-95)(86-97)(87-88)(87-98)(88-96)(89-99)(90-99)(91-100)(92-100)(93-99)(93-100)(94-101)(95-101)(99-101)(100-101)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
DU-1450.9 10.3389/fonc.2021.682968 2021
PC-31.3 10.3389/fonc.2021.682968 2021
HepG21.7 10.3389/fonc.2021.682968 2021
Caco-22 10.3389/fonc.2021.682968 2021
MDA-MB-2312.1 10.3389/fonc.2021.682968 2021
A3752.5 10.3389/fonc.2021.682968 2021
FGH3.1 10.3389/fonc.2021.682968 2021
A5493.3 10.3389/fonc.2021.682968 2021
PNT25.9 10.3389/fonc.2021.682968 2021

🧬 Cell Death Types (1)

Apoptosis high
«The mechanism studies suggest that complex (2) stimulate the overproduction of reactive oxygen species (ROS) and triggers caspase-dependent apoptosis as a result of changes in expression of several ge...»

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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