Info
| ID | 4913 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 3 |
| SMILES | Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C48H31IrN7/(1-35)(2-44)(3-37)(4-43)(5-46)(6-47)(7-50)(8-54)(9-36)(10-41)(11-67)(12-56)(13-53)(14-34)(15-68)(16-70)(17-48)(18-57)(19-39)(20-42)(21-69)(22-52)(23-49)(24-40)(25-38)(26-51)(27-45)(28-55)(29-58)(30-80)(31-80)(32-43)(32-60)(33-50)(33-66)(34-36)(34-37)(35-47)(35-60)(36-46)(37-59)(38-74)(38-76)(39-40)(39-62)(40-68)(41-43)(41-47)(42-51)(42-55)(44-59)(44-67)(45-54)(45-66)(46-61)(48-57)(48-79)(49-58)(49-70)(50-56)(51-64)(52-55)(52-63)(53-64)(53-69)(54-56)(57-74)(58-65)(59-61)(60-71)(61-71)(62-72)(62-75)(63-64)(63-73)(65-77)(65-78)(66-73)(67-83)(68-82)(69-86)(70-84)(71-83)(72-77)(72-81)(73-86)(74-80)(75-78)(75-82)(76-79)(76-81)(77-85)(78-84)(79-85)(83-87)(84-87)(85-87)(86-87)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.2 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| SGC-7901 | 2.4 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| BEL-7402 | 4.9 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| NIH-3T3 | 5.1 | — | 10.1016/j.jinorgbio.2019.11082... | 2019 |
| HepG2 | 17 | — | 10.1016/j.jinorgbio.2019.11082... | 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.
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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.