Info
| ID | 4964 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-NH2 |
| SMILES | Nc1ccnc(-c2ccccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C32H25IrN5/(1-36)(2-49)(3-32)(4-28)(5-33)(6-29)(7-43)(8-39)(9-51)(10-40)(11-35)(12-44)(13-30)(14-34)(15-31)(16-37)(17-45)(18-52)(19-41)(20-50)(21-38)(22-42)(23-46)(24-58)(25-58)(26-30)(26-47)(27-34)(27-48)(28-30)(28-32)(29-31)(29-49)(31-38)(32-36)(33-34)(33-41)(35-39)(35-46)(36-47)(37-42)(37-43)(38-53)(39-57)(40-54)(40-55)(41-44)(42-56)(43-50)(44-48)(45-51)(45-54)(46-52)(47-53)(48-56)(49-59)(50-60)(51-61)(52-62)(53-59)(54-58)(55-57)(55-61)(56-60)(57-62)(59-63)(60-63)(61-63)(62-63)
Measurements (21)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MIA PaCa-2 | 1.1 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| SW620 | 1.2 | — | 10.1002/ange.201915828 | 2020 |
| MIA PaCa-2cisR | 1.6 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| A549 | 2.7 | — | 10.1002/ange.201915828 | 2020 |
| GES-1 | 3 | — | 10.1002/ange.201915828 | 2020 |
| A375 | 3 | 0.03 | 10.1021/jacs.3c00254 | 2023 |
| AGS | 3.1 | — | 10.1002/ange.201915828 | 2020 |
| HepG2 | 3.2 | — | 10.1002/ange.201915828 | 2020 |
| MKN-28 | 3.3 | — | 10.1002/ange.201915828 | 2020 |
| MCF-10A | 3.4 | — | 10.1002/ange.201915828 | 2020 |
| MGC-803 | 3.4 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| LO2 | 4.8 | — | 10.1002/ange.201915828 | 2020 |
| A549cisR | 5.8 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MDA-MB-231 | 7.2 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| T24 | 7.2 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| AML12 | 7.3 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| A549 | 8.2 | 0.17 | 10.1021/jacs.3c00254 | 2023 |
| A549 | 8.3 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| MCF-7 | 9.5 | 0.12 | 10.1021/jacs.3c00254 | 2023 |
| HK-2 | 11 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
| HepG2 | 19 | — | 10.1021/acs.jmedchem.4c00280 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
low
«Together, these effects lead to the death of the gastric cancer cells and shrinking of the tumors, as demonstrated by experiments on cell lines and mice.»
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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