Info
| ID | 6163 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"O": 3, "N": 4} |
| Abbreviation | Re2 |
| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].c1cc(CCc2ccncc2)ccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C39H28N4O3Re/(1-32)(2-33)(3-31)(4-34)(5-29)(6-60)(7-37)(8-30)(9-43)(10-41)(11-47)(12-36)(13-57)(14-47)(15-48)(16-48)(17-44)(18-38)(19-40)(20-35)(21-58)(22-59)(23-45)(24-39)(25-42)(26-61)(27-62)(28-46)(29-35)(29-50)(30-32)(30-33)(31-32)(31-49)(33-34)(34-49)(35-53)(36-55)(36-57)(37-39)(37-43)(38-51)(38-60)(39-52)(40-54)(40-61)(41-42)(41-43)(42-52)(44-55)(44-58)(45-56)(45-59)(46-56)(46-62)(47-48)(47-55)(48-56)(49-51)(50-51)(50-63)(52-54)(53-54)(53-64)(57-68)(58-68)(59-69)(60-70)(61-71)(62-69)(63-64)(63-70)(64-71)(65-72)(66-73)(67-74)(68-75)(69-75)(70-75)(71-75)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 1.6 | — | 10.1002/chem.201505160 | 2016 |
| HeLa | 2 | — | 10.1002/chem.201505160 | 2016 |
| HepG2 | 3.1 | — | 10.1002/chem.201505160 | 2016 |
| A549 | 4.6 | — | 10.1002/chem.201505160 | 2016 |
| LO2 | 12 | — | 10.1002/chem.201505160 | 2016 |
🧬 Cell Death Types (2)
Apoptosis
high
«Re3 with a lower lipophilicity localizes to lysosomes and induces caspase-independent apoptosis»
Paraptosis
high
«Re4 with higher lipophilicity specially accumulates in mitochondria and induces caspase-independent paraptosis in cancer cells»
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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