Info
| ID | 5794 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | C2 |
| SMILES | Cc1cc(-c2[c-]c3ccccc3s2)nc2ccccc12.Cc1cc(-c2[c-]c3ccccc3s2)nc2ccccc12.Cc1ccnc(-c2cc(CCCCN3CCOCC3)ccn2)c1 |
TUCAN
C55H49IrN5OS2/(1-78)(2-99)(3-52)(4-71)(5-73)(6-90)(7-55)(8-90)(9-77)(10-75)(11-70)(12-61)(13-63)(14-51)(15-65)(16-57)(17-79)(18-92)(19-52)(20-72)(21-74)(22-91)(23-88)(24-92)(25-68)(26-76)(27-52)(28-66)(29-59)(30-58)(31-69)(32-50)(33-99)(34-77)(35-79)(36-50)(37-100)(38-89)(39-91)(40-62)(41-78)(42-67)(43-50)(44-100)(45-51)(46-64)(47-60)(48-51)(49-56)(50-81)(51-85)(52-86)(53-82)(53-101)(54-87)(54-103)(55-81)(55-93)(56-57)(56-64)(57-82)(58-63)(58-65)(59-64)(59-102)(60-65)(60-84)(61-66)(61-80)(62-83)(62-88)(63-94)(66-73)(67-81)(67-89)(68-83)(68-96)(69-85)(69-95)(70-86)(70-97)(71-72)(71-76)(72-87)(73-74)(74-98)(75-76)(75-104)(77-79)(77-83)(78-79)(78-91)(80-86)(80-98)(82-102)(84-85)(84-94)(87-104)(88-106)(89-107)(90-99)(90-105)(91-105)(92-100)(92-105)(93-96)(93-107)(94-108)(95-101)(95-108)(96-106)(97-103)(97-109)(98-109)(99-110)(100-110)(101-112)(102-112)(103-111)(104-111)(106-113)(107-113)(108-113)(109-113)(112-113)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 9.2 | 0.69 | 10.1002/advs.202407236 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«Ultimately, the inhibition of autophagy resulted in apoptotic cell death as analyzed by flow cytometry using Annexin V‐Alexa Fluor 488 and propidium iodide.»
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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