home← all complexes Ir builderC^N familiesD-MPNN

Complex #1096 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1096
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation4
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Fc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

TUCAN

C52H39FN8ORu/(1-40)(2-76)(3-40)(4-61)(5-40)(6-48)(7-41)(8-59)(9-49)(10-46)(11-41)(12-53)(13-41)(14-58)(15-47)(16-42)(17-73)(18-50)(19-63)(20-45)(21-62)(22-54)(23-60)(24-52)(25-42)(26-74)(27-77)(28-44)(29-57)(30-55)(31-42)(32-51)(33-43)(34-43)(35-75)(36-56)(37-64)(38-78)(39-43)(40-65)(41-66)(42-68)(43-72)(44-70)(44-91)(45-47)(45-54)(46-51)(46-79)(47-69)(48-65)(48-73)(49-65)(49-82)(50-66)(50-74)(51-89)(52-54)(52-70)(53-66)(53-85)(55-68)(55-75)(56-72)(56-78)(57-69)(57-90)(58-80)(58-89)(59-61)(59-71)(60-62)(60-77)(61-76)(62-67)(63-68)(63-87)(64-72)(64-88)(67-81)(67-84)(69-70)(71-83)(71-86)(73-94)(74-96)(75-98)(76-95)(77-92)(78-99)(79-80)(79-97)(80-93)(81-83)(81-92)(82-85)(82-94)(83-95)(84-86)(84-93)(85-96)(86-97)(87-88)(87-98)(88-99)(89-100)(90-91)(90-100)(91-101)(94-102)(95-102)(96-102)(97-102)(98-102)(99-102)(100-102)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG29.8— 10.1016/j.jinorgbio.2017.04.02... 2017
BEL-740212— 10.1016/j.jinorgbio.2017.04.02... 2017
BEL-740212— 10.1016/j.jinorgbio.2017.04.02... 2017
HOS21— 10.1016/j.jinorgbio.2017.04.02... 2017
A54926— 10.1016/j.jinorgbio.2017.04.02... 2017
LO253— 10.1016/j.jinorgbio.2017.04.02... 2017
HeLa56— 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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