Info
| ID | 5094 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C46H32IrN9/(1-53)(2-35)(3-66)(4-67)(5-38)(6-49)(7-48)(8-51)(9-37)(10-45)(11-44)(12-68)(13-43)(14-55)(15-56)(16-39)(17-54)(18-36)(19-42)(20-46)(21-69)(22-47)(23-52)(24-50)(25-40)(26-41)(27-79)(28-79)(29-80)(30-82)(31-80)(32-83)(33-53)(33-57)(34-55)(34-64)(35-36)(35-58)(36-60)(37-48)(37-58)(38-51)(38-66)(39-50)(39-59)(40-41)(40-65)(41-59)(42-45)(42-73)(43-47)(43-61)(44-46)(44-69)(45-62)(46-63)(47-68)(48-53)(49-54)(49-67)(50-55)(51-60)(52-56)(52-73)(54-65)(56-62)(57-58)(57-70)(59-64)(60-70)(61-75)(61-76)(62-77)(63-72)(63-74)(64-71)(65-71)(66-84)(67-85)(68-81)(69-86)(70-84)(71-85)(72-75)(72-86)(73-82)(74-76)(74-87)(75-81)(76-83)(77-83)(77-87)(78-79)(78-80)(78-82)(84-88)(85-88)(86-88)(87-88)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 44 | 0.27 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| LO2 | 45 | 1.7 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| A549cisR | 52 | 0.32 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| HeLa | 59 | 0.33 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| MCF-7 | 66 | 0.71 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| CNE-2 | 1e+02 | 0.39 | 10.1016/j.ejmech.2019.06.045 | 2019 |
| HepG2 | 1.4e+02 | 0.36 | 10.1016/j.ejmech.2019.06.045 | 2019 |
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.