Info
| ID | 5783 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | IrPpy@L2 |
| SMILES | O=C(OCc1ccnc(-c2cc(COC(=O)c3sc4ccccc4c3Cl)ccn2)c1)c1sc2ccccc2c1Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C52H34Cl2IrN4O4S2/(1-40)(2-39)(3-69)(4-57)(5-41)(6-42)(7-38)(8-46)(9-44)(10-37)(11-47)(12-77)(13-55)(14-51)(15-54)(16-48)(17-43)(18-60)(19-49)(20-70)(21-62)(22-72)(23-77)(24-53)(25-59)(26-58)(27-78)(28-50)(29-78)(30-61)(31-45)(32-56)(33-52)(34-71)(35-37)(35-63)(36-43)(36-67)(37-40)(38-42)(38-73)(39-44)(39-63)(40-44)(41-43)(41-45)(42-46)(45-59)(46-69)(47-60)(47-74)(48-57)(48-81)(49-61)(49-83)(50-65)(50-75)(51-53)(51-64)(52-68)(52-76)(53-57)(54-60)(54-72)(55-65)(55-70)(56-58)(56-61)(58-66)(59-67)(62-68)(62-71)(63-73)(64-81)(64-85)(65-77)(66-83)(66-86)(67-74)(68-78)(69-87)(70-88)(71-89)(72-90)(73-87)(74-90)(75-76)(75-88)(76-89)(77-93)(78-94)(79-82)(79-91)(79-93)(80-84)(80-92)(80-94)(81-95)(82-85)(82-95)(83-96)(84-86)(84-96)(85-97)(86-98)(87-99)(88-99)(89-99)(90-99)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 0.41 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HepG2 | 1.3 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 2 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 9 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| WRL68 | 49 | — | 10.1021/acs.inorgchem.4c03950 | 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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