home← all complexes Ir builderC^N familiesD-MPNN

Complex #1095 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1095
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.c1ccc(Oc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1

TUCAN

C60H62N8ORu/(1-82)(2-63)(3-63)(4-63)(5-75)(6-64)(7-64)(8-64)(9-65)(10-79)(11-65)(12-65)(13-66)(14-66)(15-81)(16-106)(17-89)(18-66)(19-67)(20-67)(21-67)(22-68)(23-68)(24-68)(25-69)(26-69)(27-69)(28-70)(29-70)(30-70)(31-108)(32-107)(33-71)(34-71)(35-105)(36-88)(37-90)(38-109)(39-71)(40-86)(41-76)(42-84)(43-91)(44-78)(45-77)(46-93)(47-72)(48-72)(49-85)(50-80)(51-87)(52-72)(53-73)(54-83)(55-94)(56-73)(57-73)(58-74)(59-110)(60-92)(61-74)(62-74)(63-101)(64-101)(65-101)(66-102)(67-102)(68-102)(69-103)(70-103)(71-103)(72-104)(73-104)(74-104)(75-79)(75-99)(76-77)(76-78)(77-121)(78-80)(79-108)(80-93)(81-95)(81-113)(82-95)(82-106)(83-87)(83-105)(84-86)(84-111)(85-112)(85-122)(86-122)(87-98)(88-96)(88-114)(89-97)(89-107)(90-97)(90-119)(91-96)(91-109)(92-100)(92-110)(93-121)(94-100)(94-120)(95-101)(96-102)(97-103)(98-117)(98-118)(99-115)(99-116)(100-104)(105-125)(106-127)(107-128)(108-123)(109-129)(110-130)(111-112)(111-126)(112-124)(113-114)(113-127)(114-129)(115-117)(115-123)(116-118)(116-124)(117-125)(118-126)(119-120)(119-128)(120-130)(121-131)(122-131)(125-132)(126-132)(127-132)(128-132)(129-132)(130-132)(131-132)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-74021.5— 10.1016/j.jinorgbio.2017.04.02... 2017
BEL-74021.5— 10.1016/j.jinorgbio.2017.04.02... 2017
HOS4.9— 10.1016/j.jinorgbio.2017.04.02... 2017
HeLa6.3— 10.1016/j.jinorgbio.2017.04.02... 2017
LO27.6— 10.1016/j.jinorgbio.2017.04.02... 2017
HepG212— 10.1016/j.jinorgbio.2017.04.02... 2017
A54916— 10.1016/j.jinorgbio.2017.04.02... 2017

🧬 Cell Death Types (2)

Apoptosis high
«The results obtained show that the complexes induce apoptosis in BEL-7402 cells through a ROS-mediated mitochondrial dysfunction pathway.»
Autophagy high
«the complexes can induce autophagy and restrain the cell invasion... the expression of LC3-II and Beclin-1 was increased.»

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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