Info
| ID | 5841 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir2 |
| SMILES | Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C40H29IrN5/(1-39)(2-43)(3-34)(4-36)(5-42)(6-40)(7-46)(8-51)(9-35)(10-32)(11-49)(12-54)(13-37)(14-52)(15-50)(16-45)(17-62)(18-47)(19-48)(20-33)(21-53)(22-38)(23-44)(24-41)(25-61)(26-55)(27-56)(28-70)(29-70)(30-35)(30-57)(31-54)(31-58)(32-33)(32-63)(33-43)(34-39)(34-64)(35-38)(36-37)(36-57)(37-38)(39-59)(40-43)(40-59)(41-49)(41-50)(42-52)(42-58)(44-52)(44-54)(45-67)(45-68)(46-56)(46-69)(47-56)(47-61)(48-51)(48-65)(49-53)(50-66)(51-60)(53-60)(55-62)(55-67)(57-64)(58-65)(59-63)(60-66)(61-74)(62-73)(63-71)(64-71)(65-72)(66-72)(67-70)(68-69)(68-73)(69-74)(71-75)(72-75)(73-75)(74-75)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MIA PaCa-2 | 0.72 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MIA PaCa-2cisR | 1.1 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| A549 | 1.4 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MGC-803 | 1.9 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| T24 | 2.9 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| A549cisR | 3.9 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MDA-MB-231 | 4.2 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| AML12 | 5.3 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| HK-2 | 9.4 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| HepG2 | 21 | — | 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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