Info
| ID | 5814 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | YP3 |
| SMILES | COc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C52H36IrN6O/(1-51)(2-48)(3-49)(4-59)(5-53)(6-58)(7-46)(8-64)(9-60)(10-41)(11-42)(12-62)(13-39)(14-47)(15-43)(16-56)(17-68)(18-87)(19-87)(20-65)(21-54)(22-66)(23-87)(24-76)(25-45)(26-67)(27-57)(28-52)(29-50)(30-77)(31-44)(32-55)(33-40)(34-63)(35-61)(36-90)(37-46)(37-69)(38-62)(38-70)(39-41)(39-79)(40-57)(40-81)(41-71)(42-49)(42-69)(43-66)(43-73)(44-45)(44-76)(45-72)(46-51)(47-58)(47-59)(48-59)(48-78)(49-51)(50-61)(50-64)(52-63)(52-70)(53-64)(53-80)(54-65)(54-88)(55-67)(55-88)(56-68)(56-86)(57-74)(58-71)(60-62)(60-63)(61-74)(65-75)(66-77)(67-75)(68-75)(69-79)(70-81)(71-78)(72-84)(72-85)(73-82)(73-83)(74-80)(76-89)(77-94)(78-91)(79-91)(80-92)(81-92)(82-85)(82-93)(83-84)(83-94)(84-89)(85-90)(86-90)(86-93)(87-95)(88-95)(91-96)(92-96)(93-96)(94-96)(95-96)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | — | 0.53 | 10.1021/acs.inorgchem.3c02364 | 2023 |
| A549 | — | 0.67 | 10.1021/acs.inorgchem.3c02364 | 2023 |
🧬 Cell Death Types (1)
Apoptosis
high
«YQ2 could enter cells ... activate caspases, and induce 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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