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Complex #4314 — Ru(2) [RuPCAP]

2D Structure

Structure
⬇ MOL V3000

Info

ID4314
MetalRu
Oxidation state2
Charge0
Donor atoms{"S": 1, "N": 3}
AbbreviationRuPCAP
SMILESCc1ccc(C(C)C)cc1.[Cl-].[S-]/C(=N\N=C/C=C/c1ccccc1)N1CCCC1

TUCAN

C24H30N3RuS/(1-40)(2-51)(3-41)(4-35)(5-37)(6-32)(7-32)(8-31)(9-52)(10-45)(11-52)(12-45)(13-53)(14-44)(15-42)(16-46)(17-46)(18-36)(19-34)(20-53)(21-32)(22-33)(23-50)(24-31)(25-31)(26-38)(27-43)(28-39)(29-33)(30-33)(31-48)(32-50)(33-50)(34-44)(34-47)(35-40)(35-47)(36-41)(36-47)(37-38)(37-48)(38-49)(39-43)(39-49)(40-42)(41-42)(43-48)(44-51)(45-46)(45-52)(46-53)(49-50)(51-56)(52-55)(53-55)(54-55)(54-57)(54-58)(56-57)(56-59)(57-59)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23122— 10.1021/acsabm.4c00689 2024
MCF-733— 10.1021/acsabm.4c00689 2024
HeLa43— 10.1021/acsabm.4c00689 2024
MCF-10A92— 10.1021/acsabm.4c00689 2024

🧬 Cell Death Types (1)

Apoptosis high
«The active complexes were found to trigger apoptosis, a vital cellular process crucial for evaluating their potential as anticancer agents utilizing staining assays and flow cytometry analysis.»

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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