Info
| ID | 3226 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | RuL1 |
| SMILES | [c-]1ccccc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C48H31N6Ru/(1-42)(2-40)(3-58)(4-48)(5-33)(6-46)(7-52)(8-34)(9-43)(10-36)(11-49)(12-59)(13-51)(14-44)(15-68)(16-69)(17-56)(18-57)(19-50)(20-35)(21-70)(22-53)(23-55)(24-45)(25-39)(26-38)(27-47)(28-71)(29-54)(30-37)(31-41)(32-35)(32-61)(33-34)(33-68)(34-60)(35-41)(36-48)(36-64)(37-38)(37-41)(38-61)(39-62)(39-74)(40-42)(40-58)(42-62)(43-47)(43-60)(44-45)(44-65)(45-66)(46-51)(46-69)(47-67)(48-50)(49-63)(49-79)(50-56)(51-65)(52-53)(52-70)(53-66)(54-55)(54-67)(55-71)(56-59)(57-58)(57-63)(59-64)(60-72)(61-75)(62-63)(64-77)(65-73)(66-76)(67-78)(68-80)(69-82)(70-83)(71-84)(72-78)(72-80)(73-76)(73-82)(74-79)(74-81)(75-77)(75-81)(76-83)(77-85)(78-84)(79-85)(80-86)(81-86)(82-86)(83-86)(84-86)(85-86)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 0.9 | 0.045 | 10.1021/acs.jmedchem.4c02357 | 2024 |
| HCT-116 | 0.9 | 0.15 | 10.1021/acs.jmedchem.4c02357 | 2024 |
| A375 | 1.3 | 0.05 | 10.1021/acs.jmedchem.4c02357 | 2024 |
| A375 | 1.3 | 0.11 | 10.1021/acs.jmedchem.4c02357 | 2024 |
| HeLa | 2 | 0.12 | 10.1021/acs.jmedchem.4c02357 | 2024 |
| HeLa | 2 | 0.27 | 10.1021/acs.jmedchem.4c02357 | 2024 |
| MRC5pd30 | 12 | — | 10.1021/acs.jmedchem.4c02357 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«the result suggests a caspase-dependent apoptosis as the predominant mode of cell death»
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.
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