Info
| ID | 5785 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | IrBzq@L2 |
| SMILES | O=C(OCc1ccnc(-c2cc(COC(=O)c3sc4ccccc4c3Cl)ccn2)c1)c1sc2ccccc2c1Cl.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C56H34Cl2IrN4O4S2/(1-39)(2-44)(3-50)(4-54)(5-73)(6-46)(7-37)(8-38)(9-40)(10-52)(11-81)(12-74)(13-55)(14-48)(15-45)(16-42)(17-75)(18-81)(19-49)(20-76)(21-82)(22-47)(23-53)(24-62)(25-51)(26-41)(27-60)(28-61)(29-82)(30-57)(31-58)(32-56)(33-43)(34-59)(35-38)(35-63)(36-43)(36-66)(37-39)(37-64)(38-39)(40-44)(40-65)(41-43)(41-45)(42-46)(42-65)(44-64)(45-72)(46-73)(47-51)(47-85)(48-50)(48-51)(49-67)(49-79)(50-68)(52-67)(52-74)(53-57)(53-58)(54-59)(54-72)(55-60)(55-76)(56-57)(56-88)(58-69)(59-70)(60-70)(61-71)(61-80)(62-71)(62-75)(63-64)(63-77)(65-77)(66-72)(66-78)(67-81)(68-85)(68-89)(69-88)(69-90)(70-78)(71-82)(73-91)(74-92)(75-93)(76-94)(77-91)(78-94)(79-80)(79-92)(80-93)(81-97)(82-98)(83-86)(83-95)(83-97)(84-87)(84-96)(84-98)(85-99)(86-89)(86-99)(87-90)(87-100)(88-100)(89-101)(90-102)(91-103)(92-103)(93-103)(94-103)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 2.2 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HepG2 | 3.4 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 4.9 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 9 | — | 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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