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Complex #147 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID147
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "P": 4}
Abbreviation1
SMILESCC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C65H57O3P4Ru/(1-71)(2-61)(3-121)(4-74)(5-121)(6-63)(7-79)(8-60)(9-62)(10-66)(11-67)(12-65)(13-81)(14-69)(15-72)(16-76)(17-78)(18-70)(19-73)(20-82)(21-83)(22-86)(23-87)(24-75)(25-90)(26-85)(27-105)(28-105)(29-64)(30-80)(31-89)(32-68)(33-122)(34-77)(35-84)(36-91)(37-88)(38-92)(39-93)(40-96)(41-97)(42-95)(43-98)(44-94)(45-99)(46-100)(47-101)(48-102)(49-122)(50-103)(51-104)(52-58)(53-58)(54-58)(55-59)(56-59)(57-59)(58-107)(59-107)(60-61)(60-113)(61-71)(62-63)(62-113)(63-71)(64-105)(64-107)(65-66)(65-74)(66-114)(67-69)(67-114)(68-80)(68-108)(69-74)(70-72)(70-79)(72-115)(73-76)(73-79)(75-78)(75-81)(76-115)(77-81)(77-82)(78-116)(80-89)(82-116)(83-84)(83-117)(84-90)(85-89)(85-109)(86-88)(86-117)(87-92)(87-118)(88-90)(91-93)(91-118)(92-94)(93-94)(95-96)(95-101)(96-119)(97-99)(97-119)(98-100)(98-120)(99-101)(100-104)(102-103)(102-104)(103-120)(105-106)(106-110)(106-111)(108-109)(108-111)(109-112)(110-112)(110-124)(111-125)(112-123)(113-126)(114-126)(115-127)(116-127)(117-128)(118-128)(119-129)(120-129)(121-126)(121-127)(122-128)(122-129)(126-130)(127-130)(128-130)(129-130)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5490.063— 10.1016/j.jinorgbio.2020.11128... 2020
DU-1450.11— 10.1016/j.jinorgbio.2020.11128... 2020
MDA-MB-2310.13— 10.1016/j.jinorgbio.2020.11128... 2020
MCF-72— 10.1016/j.jinorgbio.2020.11128... 2020
MCF-10A2.7— 10.1016/j.jinorgbio.2020.11128... 2020
B16-F102.8— 10.1016/j.jinorgbio.2021.11149... 2021

🧬 Cell Death Types (1)

Apoptosis high
«The percentage of apoptotic cells increases considerably with an increase of the concentration of the complex (1) ... showing that the complex (1) induces tumor cell death via an apoptotic pathway.»

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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