Info
| ID | 5787 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | IrThpy@L2 |
| SMILES | O=C(OCc1ccnc(-c2cc(COC(=O)c3sc4ccccc4c3Cl)ccn2)c1)c1sc2ccccc2c1Cl.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C48H30Cl2IrN4O4S4/(1-43)(2-59)(3-65)(4-60)(5-57)(6-36)(7-69)(8-39)(9-41)(10-33)(11-42)(12-45)(13-34)(14-48)(15-46)(16-51)(17-58)(18-47)(19-35)(20-70)(21-37)(22-65)(23-66)(24-44)(25-52)(26-40)(27-38)(28-49)(29-66)(30-50)(31-35)(31-71)(32-40)(32-75)(33-34)(33-57)(34-36)(35-69)(36-61)(37-38)(37-58)(38-48)(39-47)(39-53)(40-70)(41-51)(41-72)(42-54)(42-59)(43-54)(43-62)(44-50)(44-55)(45-52)(45-73)(46-56)(46-60)(47-51)(48-63)(49-56)(49-64)(50-52)(53-72)(53-77)(54-65)(55-73)(55-78)(56-66)(57-79)(58-81)(59-80)(60-82)(61-71)(61-79)(62-64)(62-80)(63-75)(63-81)(64-82)(65-85)(66-86)(67-74)(67-83)(67-85)(68-76)(68-84)(68-86)(69-87)(70-88)(71-87)(72-89)(73-90)(74-77)(74-89)(75-88)(76-78)(76-90)(77-91)(78-92)(79-93)(80-93)(81-93)(82-93)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 0.03 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HepG2 | 0.05 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| HeLa | 0.97 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| A549 | 2.9 | — | 10.1021/acs.inorgchem.4c03950 | 2024 |
| WRL68 | 39 | — | 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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