Info
| ID | 5782 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrPpy@L1 |
| SMILES | O=C(OCc1ccnc(-c2cc(COC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)c1)c1cc2cc(Cl)ccc2[nH]1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C52H36Cl2IrN6O4/(1-44)(2-42)(3-43)(4-45)(5-57)(6-47)(7-39)(8-49)(9-52)(10-40)(11-59)(12-48)(13-58)(14-41)(15-50)(16-46)(17-55)(18-72)(19-71)(20-62)(21-83)(22-74)(23-54)(24-73)(25-60)(26-83)(27-61)(28-84)(29-64)(30-84)(31-51)(32-53)(33-63)(34-56)(35-89)(36-90)(37-41)(37-65)(38-50)(38-68)(39-43)(39-44)(40-42)(40-72)(41-43)(42-47)(44-65)(45-48)(45-50)(46-49)(46-51)(47-75)(48-62)(49-76)(51-73)(52-66)(52-87)(53-69)(53-79)(54-66)(54-77)(55-57)(55-87)(56-67)(56-88)(57-78)(58-61)(58-80)(59-69)(59-71)(60-67)(60-82)(61-88)(62-68)(63-70)(63-81)(64-70)(64-74)(65-75)(66-78)(67-80)(68-76)(69-83)(70-84)(71-91)(72-92)(73-93)(74-94)(75-92)(76-93)(77-85)(77-89)(78-89)(79-81)(79-91)(80-90)(81-94)(82-86)(82-90)(83-97)(84-98)(85-95)(85-97)(86-96)(86-98)(87-99)(88-100)(91-101)(92-101)(93-101)(94-101)(97-101)(98-101)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 4.2 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HepG2 | 6 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 7.3 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 11 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| WRL68 | — | — | 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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