Info
| ID | 5959 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | CC(=O)CC(O)c1cc(Br)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C49H32Br2IrN6O2/(1-33)(2-39)(3-36)(4-46)(5-38)(6-41)(7-42)(8-53)(9-54)(10-37)(11-44)(12-67)(13-33)(14-56)(15-79)(16-55)(17-49)(18-68)(19-47)(20-50)(21-70)(22-45)(23-40)(24-33)(25-56)(26-51)(27-69)(28-48)(29-52)(30-43)(31-83)(32-89)(33-78)(34-40)(34-59)(35-43)(35-66)(36-38)(36-57)(37-52)(37-58)(38-67)(39-41)(39-57)(40-44)(41-61)(42-46)(42-62)(43-45)(44-53)(45-54)(46-58)(47-48)(47-60)(48-68)(49-51)(49-69)(50-64)(50-80)(51-65)(52-70)(53-61)(54-62)(55-63)(55-81)(56-78)(56-79)(57-71)(58-73)(59-61)(59-71)(60-72)(60-76)(62-66)(63-79)(63-80)(64-77)(64-81)(65-74)(65-75)(66-73)(67-84)(68-82)(69-87)(70-86)(71-84)(72-74)(72-82)(73-86)(74-87)(75-76)(75-85)(76-83)(77-83)(77-85)(78-88)(79-89)(80-90)(81-91)(84-92)(85-92)(86-92)(87-92)(89-92)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | — | — | 10.1016/j.jinorgbio.2023.11213... | 2023 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2023.11213... | 2023 |
| A549 | — | — | 10.1016/j.jinorgbio.2023.11213... | 2023 |
| HeLa | — | — | 10.1016/j.jinorgbio.2023.11213... | 2023 |
| B16 | — | — | 10.1016/j.jinorgbio.2023.11213... | 2023 |
| NIH-3T3 | — | — | 10.1016/j.jinorgbio.2023.11213... | 2023 |
🧬 Cell Death Types (3)
Apoptosis
high
«The cellular uptake, endoplasmic reticulum (ER) localization, autophagy, tubulin polymerization, glutathione (GSH), malondialdehyde (MDA) and release of cytochrome c were investigated to explore the m...»
Autophagy
high
«The cellular uptake, endoplasmic reticulum (ER) localization, autophagy, tubulin polymerization, glutathione (GSH), malondialdehyde (MDA) and release of cytochrome c were investigated to explore the m...»
Immunogenic Cell Death
high
«The calreticulin (CRT), heat shock protein 70 (HSP70), high mobility group box 1 (HMGB1) were also explored. The results demonstrated that Ir1lipo and Ir2lipo induce ... immunogenic cell death (ICD).»
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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