Info
| ID | 6285 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 3, "O": 3} |
| Abbreviation | fac-[Re(et-isonic)(Cl2phen)(CO)3]+ |
| SMILES | CCOC(=O)c1ccncc1.Clc1ccnc2c1ccc1c(Cl)ccnc12.[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C23H15Cl2N3O5Re/(1-35)(2-18)(3-20)(4-26)(5-35)(6-16)(7-27)(8-17)(9-28)(10-19)(11-22)(12-21)(13-16)(14-16)(15-29)(16-35)(17-27)(17-37)(18-24)(18-28)(19-24)(19-26)(20-21)(20-23)(21-25)(22-29)(22-38)(23-30)(23-37)(24-36)(25-31)(25-38)(26-41)(27-39)(28-41)(29-40)(30-31)(30-39)(31-40)(32-42)(33-43)(34-45)(35-46)(36-44)(36-46)(37-47)(38-48)(39-49)(40-49)(41-49)(46-49)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SkMel-29 | 2.2 | — | 10.1016/j.ica.2019.119329 | 2020 |
| SK-MEL-147 | 2.8 | — | 10.1016/j.ica.2019.119329 | 2020 |
| MCF-7 | 4.6 | — | 10.1016/j.ica.2019.119329 | 2020 |
🧬 Cell Death Types (1)
Apoptosis
high
«It is observed a shift of cell populations from control to the Ann+ quadrant for all tumor cell lines used after 24 hours of treatment... thereby indicating that these cells were in the process of dea...»
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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