Info
| ID | 4915 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir2 |
| SMILES | OCc1ccnc(-c2cc(CO)ccn2)c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C30H24IrN4O2S2/(1-28)(2-33)(3-32)(4-41)(5-27)(6-36)(7-49)(8-34)(9-49)(10-50)(11-50)(12-38)(13-43)(14-29)(15-31)(16-51)(17-30)(18-35)(19-42)(20-52)(21-37)(22-44)(23-59)(24-60)(25-33)(25-53)(26-37)(26-54)(27-28)(27-45)(28-32)(29-39)(29-46)(30-40)(30-48)(31-36)(31-47)(32-41)(33-51)(34-39)(34-42)(35-36)(35-43)(37-52)(38-40)(38-44)(39-49)(40-50)(41-55)(42-57)(43-56)(44-58)(45-53)(45-55)(46-48)(46-57)(47-54)(47-56)(48-58)(49-59)(50-60)(51-61)(52-62)(53-61)(54-62)(55-63)(56-63)(57-63)(58-63)
Measurements (18)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| GSC-12# | 5.4 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| HCT-116 | 6.3 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| GSC-3# | 7.5 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| HepG2 | 7.7 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 8.7 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| GSC-18# | 8.8 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| A549 | 18 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 23 | — | 10.1016/j.jinorgbio.2024.11259... | 2024 |
| WRL68 | 23 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 23 | — | 10.1016/j.jinorgbio.2024.11259... | 2024 |
| HEK293T | 26 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| U251 | 27 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| HAC | 28 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| U-87 MG | 31 | — | 10.1016/j.jinorgbio.2019.11090... | 2020 |
| HepG2 | 56 | — | 10.1016/j.jinorgbio.2024.11259... | 2024 |
| A549cisR | — | — | 10.1016/j.jinorgbio.2024.11259... | 2024 |
| LO2 | — | — | 10.1016/j.jinorgbio.2024.11259... | 2024 |
| BEAS-2B | — | — | 10.1016/j.jinorgbio.2024.11259... | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«activate a cascade of mitochondria-mediated cell death events, and arrest the cell cycle in S-phase which leads to apoptosis.»
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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