Info
| ID | 5078 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 1 |
| SMILES | COc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.[Cl-].[Cl-].[Cl-] |
TUCAN
C22H17IrN3O/(1-18)(2-22)(3-19)(4-38)(5-26)(6-23)(7-38)(8-33)(9-27)(10-28)(11-32)(12-20)(13-25)(14-29)(15-24)(16-21)(17-38)(18-19)(18-34)(19-21)(20-30)(20-35)(21-32)(22-31)(22-39)(23-26)(23-39)(24-26)(24-31)(25-27)(25-33)(27-29)(28-30)(28-37)(29-36)(30-31)(32-40)(33-42)(34-35)(34-40)(35-41)(36-37)(36-42)(37-41)(38-43)(39-43)(41-44)(42-44)(43-44)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 3.2 | — | 10.1016/j.ejmech.2017.10.035 | 2018 |
| NCI-H460 | 6.9 | — | 10.1016/j.ejmech.2017.10.035 | 2018 |
| MGC-803 | 8.7 | — | 10.1016/j.ejmech.2017.10.035 | 2018 |
| BEL-7404 | 28 | — | 10.1016/j.ejmech.2017.10.035 | 2018 |
| HL-7702 | 38 | — | 10.1016/j.ejmech.2017.10.035 | 2018 |
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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.