Info
| ID | 6261 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | Re1 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-] |
TUCAN
C23H16N7O3Re/(1-21)(2-19)(3-22)(4-18)(5-17)(6-24)(7-23)(8-20)(9-28)(10-29)(11-43)(12-40)(13-40)(14-41)(15-41)(16-44)(17-18)(17-34)(18-27)(19-20)(19-25)(20-28)(21-22)(21-29)(22-26)(23-24)(23-34)(24-27)(25-30)(25-31)(26-32)(26-33)(27-35)(28-42)(29-45)(30-33)(30-43)(31-32)(31-42)(32-45)(33-46)(34-44)(35-43)(35-46)(36-40)(36-41)(36-44)(37-47)(38-48)(39-49)(45-50)(46-50)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 20 | 4.7 | 10.1093/mtomcs/mfac008 | 2022 |
| MCF-7 | 30 | 5.1 | 10.1093/mtomcs/mfac008 | 2022 |
| A549 | 45 | 4 | 10.1093/mtomcs/mfac008 | 2022 |
| LO2 | 61 | 2.7 | 10.1093/mtomcs/mfac008 | 2022 |
| HeLa | 1.9e+02 | 1.3 | 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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