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D-MPNN
Complex #736 — Ru(2)
[RCT]
2D Structure
⬇ MOL V3000
Info
ID
736
Metal
Ru
Oxidation state
2
Charge
1
Donor atoms
{"S": 1, "N": 3, "P": 2}
Abbreviation
RCT
SMILES
[S-]C1=NCCS1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
TUCAN
C39H36N3P2RuS2/(1-37)(2-45)(3-38)(4-68)(5-40)(6-41)(7-63)(8-64)(9-47)(10-46)(11-68)(12-48)(13-52)(14-69)(15-44)(16-43)(17-69)(18-39)(19-49)(20-53)(21-54)(22-55)(23-50)(24-51)(25-56)(26-58)(27-59)(28-57)(29-42)(30-74)(31-74)(32-65)(33-65)(34-60)(35-61)(36-62)(37-40)(37-70)(38-40)(38-41)(39-47)(39-52)(41-45)(42-44)(42-66)(43-44)(43-63)(45-70)(46-47)(46-71)(48-52)(48-71)(49-53)(49-72)(50-55)(50-72)(51-56)(51-73)(53-54)(54-55)(56-59)(57-58)(57-73)(58-59)(60-61)(60-62)(61-64)(62-67)(63-76)(64-77)(65-74)(65-78)(66-67)(66-76)(67-77)(68-69)(68-79)(69-80)(70-79)(71-79)(72-80)(73-80)(74-82)(75-78)(75-81)(75-82)(76-83)(77-83)(78-83)(79-83)(80-83)(82-83)
Measurements (26)
Cell line
IC₅₀ dark (µM)
IC₅₀ light (µM)
DOI
Year
OVCAR-3
0.18
—
10.1016/j.biopha.2024.117059
2024
PANC-1
0.5
—
10.1016/j.biopha.2024.117059
2024
CAL-27
0.65
—
10.1016/j.biopha.2024.117059
2024
THP-1
0.95
—
10.1016/j.biopha.2024.117059
2024
A375
1.1
—
10.1016/j.biopha.2024.117059
2024
NB4
1.1
—
10.1016/j.biopha.2024.117059
2024
Jurkat
1.4
—
10.1016/j.biopha.2024.117059
2024
K-562
1.5
—
10.1016/j.biopha.2024.117059
2024
SCC-9
1.6
—
10.1016/j.biopha.2024.117059
2024
DU-145
1.6
—
10.1016/j.biopha.2024.117059
2024
SCC-25
1.7
—
10.1016/j.biopha.2024.117059
2024
HepG2
1.8
—
10.1016/j.biopha.2024.117059
2024
HL60
2
—
10.1016/j.biopha.2024.117059
2024
MRC-5
2.1
—
10.1016/j.biopha.2024.117059
2024
B16-F10
2.1
—
10.1016/j.biopha.2024.117059
2024
MCF-7
2.4
—
10.1016/j.biopha.2024.117059
2024
U-87 MG
2.7
—
10.1016/j.biopha.2024.117059
2024
HSC-3
2.7
—
10.1016/j.biopha.2024.117059
2024
BJ
2.7
—
10.1016/j.biopha.2024.117059
2024
A549
2.9
—
10.1016/j.biopha.2024.117059
2024
MDA-MB-231
3.4
—
10.1016/j.biopha.2024.117059
2024
4T1
3.6
—
10.1016/j.biopha.2024.117059
2024
KG-1a
4
—
10.1016/j.biopha.2024.117059
2024
PBMC
5.9
—
10.1016/j.biopha.2024.117059
2024
SCC-4
6.6
—
10.1016/j.biopha.2024.117059
2024
HCT-116
9.2
—
10.1016/j.biopha.2024.117059
2024