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Complex #2236 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2236
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "S": 1, "P": 2}
Abbreviation1
SMILESO=c1cc[nH]c([S-])n1.c1ccc(-c2ccccn2)nc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C50H41N4OP2RuS/(1-42)(2-45)(3-44)(4-46)(5-43)(6-63)(7-47)(8-52)(9-48)(10-53)(11-49)(12-55)(13-68)(14-51)(15-54)(16-50)(17-59)(18-56)(19-57)(20-65)(21-61)(22-58)(23-62)(24-66)(25-69)(26-70)(27-73)(28-71)(29-74)(30-60)(31-67)(32-72)(33-79)(34-77)(35-78)(36-64)(37-81)(38-75)(39-76)(40-80)(41-92)(42-43)(42-45)(43-44)(44-47)(45-85)(46-48)(46-51)(47-85)(48-86)(49-52)(49-86)(50-53)(50-87)(51-52)(53-54)(54-55)(55-56)(56-87)(57-59)(57-88)(58-59)(58-61)(60-62)(60-66)(61-65)(62-69)(63-64)(63-68)(64-82)(65-88)(66-70)(67-73)(67-74)(68-79)(69-89)(70-89)(71-73)(71-90)(72-74)(72-90)(75-81)(75-84)(76-78)(76-83)(77-78)(77-80)(79-93)(80-95)(81-92)(82-83)(82-93)(83-95)(84-94)(84-96)(85-97)(86-97)(87-97)(88-98)(89-98)(90-98)(91-92)(91-94)(91-99)(93-100)(94-100)(95-100)(97-100)(98-100)

Measurements (31)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HL602.3— 10.1021/acsomega.9b01921 2020
OVCAR-32.4— 10.1038/s41420-024-02036-w 2024
MDA-MB-2312.6— 10.1038/s41420-024-02036-w 2024
CAL-272.7— 10.1038/s41420-024-02036-w 2024
K-5622.8— 10.1021/acsomega.9b01921 2020
A3753— 10.1038/s41420-024-02036-w 2024
B16-F103— 10.1038/s41420-024-02036-w 2024
HepG23.5— 10.1038/s41420-024-02036-w 2024
U-87 MG3.5— 10.1038/s41420-024-02036-w 2024
SCC-94.4— 10.1038/s41420-024-02036-w 2024
HCT-1164.7— 10.1038/s41420-024-02036-w 2024
THP-14.8— 10.1038/s41420-024-02036-w 2024
KG-1a4.8— 10.1038/s41420-024-02036-w 2024
SCC-44.8— 10.1038/s41420-024-02036-w 2024
NB44.8— 10.1038/s41420-024-02036-w 2024
Jurkat5.1— 10.1038/s41420-024-02036-w 2024
B16-F105.3— 10.1021/acsomega.9b01921 2020
HL605.7— 10.1038/s41420-024-02036-w 2024
K-5626.8— 10.1038/s41420-024-02036-w 2024
PBMC7— 10.1021/acsomega.9b01921 2020
BJ7— 10.1038/s41420-024-02036-w 2024
DU-1457.6— 10.1038/s41420-024-02036-w 2024
SCC-257.6— 10.1038/s41420-024-02036-w 2024
HSC-38.4— 10.1038/s41420-024-02036-w 2024
MCF-79.2— 10.1038/s41420-024-02036-w 2024
PANC-19.4— 10.1038/s41420-024-02036-w 2024
4T112— 10.1038/s41420-024-02036-w 2024
HepG212— 10.1021/acsomega.9b01921 2020
PBMC14— 10.1038/s41420-024-02036-w 2024
A54918— 10.1038/s41420-024-02036-w 2024
MRC-518— 10.1038/s41420-024-02036-w 2024

🧬 Cell Death Types (1)

Apoptosis high
«Both complexes induced a significant increase in the percentage of apoptotic cells in a time- and concentration-dependent manner, and no significant increase in the percentage of necrotic cells was de...»

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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