Info
| ID | 5784 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrBzq@L1 |
| SMILES | O=C(OCc1ccnc(-c2cc(COC(=O)c3cc4cc(Cl)ccc4[nH]3)ccn2)c1)c1cc2cc(Cl)ccc2[nH]1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12 |
TUCAN
C56H36Cl2IrN6O4/(1-39)(2-45)(3-76)(4-57)(5-41)(6-54)(7-42)(8-40)(9-47)(10-49)(11-58)(12-50)(13-43)(14-60)(15-46)(16-48)(17-75)(18-52)(19-77)(20-51)(21-62)(22-87)(23-78)(24-87)(25-55)(26-61)(27-44)(28-88)(29-64)(30-63)(31-88)(32-53)(33-56)(34-59)(35-93)(36-94)(37-48)(37-66)(38-59)(38-71)(39-42)(39-67)(40-41)(40-67)(41-48)(42-65)(43-57)(43-68)(44-46)(44-59)(45-47)(45-65)(46-73)(47-75)(49-69)(49-91)(50-72)(50-83)(51-69)(51-80)(52-54)(52-91)(53-70)(53-92)(54-81)(55-70)(55-82)(56-61)(56-84)(57-73)(58-62)(58-77)(60-72)(60-76)(61-92)(62-68)(63-74)(63-86)(64-74)(64-78)(65-79)(66-67)(66-79)(68-85)(69-81)(70-84)(71-73)(71-85)(72-87)(74-88)(75-95)(76-96)(77-97)(78-98)(79-95)(80-89)(80-93)(81-93)(82-90)(82-94)(83-86)(83-96)(84-94)(85-97)(86-98)(87-101)(88-102)(89-99)(89-101)(90-100)(90-102)(91-103)(92-104)(95-105)(96-105)(97-105)(98-105)(101-105)(102-105)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 7.1 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HepG2 | 9.8 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 11 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 16 | — | 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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