Info
| ID | 4907 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir3 |
| SMILES | Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C49H33IrN7/(1-39)(2-37)(3-56)(4-47)(5-38)(6-58)(7-53)(8-40)(9-43)(10-71)(11-49)(12-46)(13-45)(14-36)(15-72)(16-73)(17-50)(18-51)(19-41)(20-59)(21-57)(22-55)(23-54)(24-61)(25-42)(26-60)(27-44)(28-74)(29-48)(30-52)(31-83)(32-83)(33-85)(34-43)(34-62)(35-45)(35-65)(36-37)(36-67)(37-40)(38-40)(38-63)(39-47)(39-62)(41-42)(41-72)(42-64)(43-56)(44-57)(44-68)(45-58)(46-67)(46-71)(47-56)(48-54)(48-57)(49-53)(49-58)(50-51)(50-69)(51-77)(52-61)(52-70)(53-65)(54-66)(55-68)(55-74)(59-60)(59-77)(60-69)(61-73)(62-75)(63-67)(63-75)(64-76)(64-81)(65-80)(66-68)(66-80)(69-82)(70-78)(70-79)(71-86)(72-84)(73-89)(74-87)(75-86)(76-78)(76-85)(77-83)(78-88)(79-81)(79-89)(80-87)(81-84)(82-85)(82-88)(86-90)(87-90)(88-90)(89-90)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16 | 4.6 | — | 10.1016/j.jinorgbio.2021.11158... | 2021 |
| HepG2 | 4.7 | — | 10.1016/j.jinorgbio.2021.11158... | 2021 |
| A549 | 7.6 | — | 10.1016/j.jinorgbio.2021.11158... | 2021 |
| BEL-7402 | 12 | — | 10.1016/j.jinorgbio.2021.11158... | 2021 |
| SGC-7901 | 46 | — | 10.1016/j.jinorgbio.2021.11158... | 2021 |
| NIH-3T3 | — | — | 10.1016/j.jinorgbio.2021.11158... | 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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