Info
| ID | 5613 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | Clc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C40H24Cl2IrN6/(1-51)(2-35)(3-31)(4-39)(5-27)(6-30)(7-28)(8-42)(9-41)(10-38)(11-29)(12-40)(13-52)(14-36)(15-46)(16-33)(17-34)(18-43)(19-44)(20-53)(21-45)(22-32)(23-54)(24-37)(25-30)(25-47)(26-38)(26-49)(27-31)(27-55)(28-31)(28-51)(29-39)(29-54)(30-35)(32-33)(32-35)(33-47)(34-37)(34-49)(36-45)(36-53)(37-41)(38-41)(39-42)(40-44)(40-50)(42-60)(43-61)(43-63)(44-52)(45-48)(46-57)(46-64)(47-55)(48-58)(48-59)(49-60)(50-56)(50-62)(51-67)(52-68)(53-66)(54-69)(55-67)(56-58)(56-68)(57-61)(57-65)(58-66)(59-62)(59-65)(60-69)(61-70)(62-70)(63-64)(63-72)(64-71)(67-73)(68-73)(69-73)(70-73)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 1.3 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| BEL-7402 | 2.1 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| HepG2 | 2.1 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| NIH-3T3 | 3.5 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| A549 | 3.7 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
| HeLa | 3.9 | — | 10.1016/j.bioorg.2021.105290 | 2021 |
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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