home← all complexes Ir builderC^N familiesD-MPNN

Complex #3854 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3854
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 3, "P": 2}
Abbreviation2
SMILESCOc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C55H55N3O5P2Ru/(1-88)(2-56)(3-88)(4-57)(5-67)(6-58)(7-69)(8-105)(9-59)(10-89)(11-60)(12-105)(13-106)(14-68)(15-89)(16-98)(17-97)(18-97)(19-87)(20-90)(21-92)(22-106)(23-73)(24-64)(25-72)(26-76)(27-78)(28-98)(29-97)(30-63)(31-74)(32-75)(33-80)(34-77)(35-81)(36-82)(37-61)(38-79)(39-66)(40-93)(41-83)(42-62)(43-90)(44-65)(45-98)(46-99)(47-71)(48-85)(49-70)(50-84)(51-99)(52-99)(53-94)(54-86)(55-94)(56-57)(56-58)(57-107)(58-67)(59-67)(59-107)(60-69)(60-72)(61-63)(61-95)(62-66)(62-96)(63-64)(64-92)(65-66)(65-93)(68-69)(68-108)(70-86)(70-91)(71-91)(71-101)(72-73)(73-108)(74-76)(74-78)(75-78)(75-81)(76-109)(77-80)(77-82)(79-80)(79-83)(81-109)(82-110)(83-110)(84-91)(84-102)(85-87)(85-103)(86-104)(87-90)(88-89)(88-105)(89-106)(90-94)(92-112)(93-113)(94-111)(95-96)(95-112)(96-113)(97-116)(98-117)(99-118)(100-101)(100-102)(100-116)(101-117)(102-118)(103-111)(103-114)(104-111)(104-115)(105-119)(106-120)(107-119)(108-119)(109-120)(110-120)(112-121)(113-121)(116-121)(117-121)(118-121)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HSC-31.3— 10.18632/oncotarget.22248 2017
HepG21.9— 10.18632/oncotarget.22248 2017
PBMC3.2— 10.18632/oncotarget.22248 2017
B16-F104.1— 10.18632/oncotarget.22248 2017
HL604.5— 10.18632/oncotarget.22248 2017
SCC-45.4— 10.18632/oncotarget.22248 2017
HCT-1165.5— 10.18632/oncotarget.22248 2017
K-5625.8— 10.18632/oncotarget.22248 2017
MRC-56.3— 10.18632/oncotarget.22248 2017
SCC-96.8— 10.18632/oncotarget.22248 2017

🧬 Cell Death Types (1)

Apoptosis high
«Mechanistic studies uncovered that the complexes reduced the cell growth and caused phosphatidylserine externalization, internucleosomal DNA fragmentation, caspase-3 activation and loss of the mitocho...»

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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