Info
| ID | 5842 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir3 |
| SMILES | Nc1ccnc(-c2ccccn2)c1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C36H25IrN5/(1-35)(2-53)(3-34)(4-30)(5-56)(6-32)(7-28)(8-45)(9-54)(10-38)(11-37)(12-41)(13-40)(14-36)(15-33)(16-29)(17-44)(18-55)(19-31)(20-39)(21-42)(22-43)(23-46)(24-62)(25-62)(26-29)(26-48)(27-31)(27-52)(28-33)(28-53)(29-30)(30-34)(31-41)(32-35)(32-49)(33-49)(34-47)(35-47)(36-42)(36-56)(37-45)(37-46)(38-58)(38-61)(39-41)(39-51)(40-43)(40-51)(42-50)(43-50)(44-54)(44-58)(45-59)(46-55)(47-48)(48-57)(49-57)(50-60)(51-52)(52-60)(53-63)(54-64)(55-66)(56-65)(57-63)(58-62)(59-61)(59-66)(60-65)(61-64)(63-67)(64-67)(65-67)(66-67)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MIA PaCa-2 | 2.2 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MIA PaCa-2cisR | 2.8 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MGC-803 | 6.2 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| A549 | 6.4 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| A549cisR | 6.7 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| AML12 | 6.9 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MDA-MB-231 | 7 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| T24 | 8.1 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| HK-2 | 10 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| HepG2 | 22 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
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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