Info
| ID | 6263 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 2 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | Re3 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1c[nH]cn1 |
TUCAN
C26H20N9O3Re/(1-24)(2-33)(3-22)(4-35)(5-21)(6-27)(7-23)(8-25)(9-34)(10-41)(11-32)(12-28)(13-26)(14-47)(15-47)(16-48)(17-52)(18-48)(19-50)(20-51)(21-23)(21-29)(22-24)(22-30)(23-34)(24-39)(25-28)(25-33)(26-27)(26-39)(27-30)(28-31)(29-36)(29-40)(30-42)(31-37)(31-38)(32-35)(32-50)(33-53)(34-49)(35-54)(36-38)(36-51)(37-40)(37-53)(38-55)(39-52)(40-49)(41-50)(41-54)(42-51)(42-55)(43-47)(43-48)(43-52)(44-56)(45-57)(46-58)(53-59)(54-59)(55-59)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 8.7 | 0.7 | 10.1093/mtomcs/mfac008 | 2022 |
| A549 | 27 | 0.9 | 10.1093/mtomcs/mfac008 | 2022 |
| HeLa | 34 | 0.9 | 10.1093/mtomcs/mfac008 | 2022 |
| MCF-7 | 36 | 1.6 | 10.1093/mtomcs/mfac008 | 2022 |
| LO2 | 39 | 1.6 | 10.1093/mtomcs/mfac008 | 2022 |
🧬 Cell Death Types (1)
Apoptosis
high
«Title: 'trigger HeLa cell apoptosis through death receptor-mediated, mitochondria-mediated, and cell cycle arrest pathways.' Abstract: 'the mechanism by which Re1 induces apoptosis' and 'inducing the ...»
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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