Info
| ID | 4853 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-9-Ac |
| SMILES | Cc1ccnc(-c2cc(CNC(=O)c3c4ccccc4cc4ccccc34)ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C49H37IrN5O/(1-81)(2-61)(3-42)(4-45)(5-43)(6-44)(7-46)(8-77)(9-79)(10-49)(11-50)(12-57)(13-47)(14-58)(15-54)(16-41)(17-63)(18-56)(19-38)(20-80)(21-48)(22-53)(23-38)(24-51)(25-66)(26-59)(27-62)(28-67)(29-64)(30-38)(31-81)(32-52)(33-60)(34-55)(35-78)(36-65)(37-87)(38-68)(39-45)(39-71)(40-62)(40-72)(41-42)(41-77)(42-47)(43-46)(43-61)(44-56)(44-65)(45-46)(47-82)(48-68)(48-80)(49-52)(49-54)(50-54)(50-70)(51-55)(51-60)(52-73)(53-69)(53-84)(55-75)(56-62)(57-63)(57-64)(58-70)(58-74)(59-69)(59-78)(60-66)(61-71)(63-79)(64-83)(65-72)(66-74)(67-68)(67-85)(69-81)(70-73)(71-82)(72-83)(73-76)(74-75)(75-76)(76-86)(77-88)(78-89)(79-91)(80-90)(81-87)(82-88)(83-91)(84-85)(84-89)(85-90)(86-87)(86-92)(88-93)(89-93)(90-93)(91-93)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.8 | — | 10.1016/j.jinorgbio.2022.11191... | 2022 |
| MCF-7 | 1.8 | — | 10.1016/j.jinorgbio.2022.11191... | 2022 |
| A2780 | 2.3 | — | 10.1016/j.jinorgbio.2022.11191... | 2022 |
| A549cisR | 4.9 | — | 10.1016/j.jinorgbio.2022.11191... | 2022 |
| LO2 | 5.2 | — | 10.1016/j.jinorgbio.2022.11191... | 2022 |
| HLF | 9.8 | — | 10.1016/j.jinorgbio.2022.11191... | 2022 |
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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