Info
| ID | 5861 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 6 |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.[c-]1cccc2c1c1ncccc1c1nc3cc4ccccc4cc3nc21.c1cn(CCN2CCCCC2)cn1 |
TUCAN
C43H44IrN6/(1-45)(2-45)(3-45)(4-46)(5-46)(6-58)(7-60)(8-78)(9-78)(10-55)(11-56)(12-62)(13-81)(14-62)(15-53)(16-54)(17-59)(18-57)(19-76)(20-61)(21-79)(22-64)(23-81)(24-46)(25-47)(26-47)(27-47)(28-48)(29-48)(30-48)(31-49)(32-49)(33-49)(34-77)(35-63)(36-79)(37-80)(38-63)(39-80)(40-51)(41-52)(42-75)(43-64)(44-87)(45-66)(46-67)(47-68)(48-69)(49-70)(50-58)(50-72)(51-53)(51-65)(52-65)(52-82)(53-61)(54-60)(54-76)(55-61)(55-71)(56-71)(56-84)(57-58)(57-59)(59-73)(60-74)(62-64)(62-78)(63-64)(63-81)(65-71)(66-67)(66-68)(67-69)(68-70)(69-70)(72-73)(72-86)(73-83)(74-85)(74-86)(75-77)(75-90)(76-92)(77-91)(78-89)(79-80)(79-89)(80-90)(81-89)(82-84)(82-88)(83-85)(83-88)(84-93)(85-93)(86-92)(87-90)(87-91)(91-94)(92-94)(93-94)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 1BR.3.G | 0.57 | 0.0009 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| HeLa | 0.7 | 0.0007 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| MRC-5 | 0.7 | 0.0008 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| PC-3 | 1.2 | 0.0012 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2 | 0.0015 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2 | 0.011 | 10.1021/acs.jmedchem.3c01276 | 2024 |
| A549 | 2 | 0.032 | 10.1021/acs.jmedchem.3c01276 | 2024 |
🧬 Cell Death Types (1)
Apoptosis
high
«Consequently, cell death by apoptosis and secondary necrosis is activated.»
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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