Info
| ID | 5708 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-UA |
| SMILES | CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\C)NCc3ccnc(-c4cc(C)ccn4)c3)C(=O)C12C.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C52H43IrN5O6/(1-65)(2-57)(3-79)(4-46)(5-52)(6-58)(7-60)(8-54)(9-53)(10-44)(11-64)(12-51)(13-46)(14-69)(15-62)(16-61)(17-55)(18-46)(19-45)(20-45)(21-45)(22-48)(23-83)(24-81)(25-47)(26-82)(27-44)(28-47)(29-80)(30-56)(31-48)(32-48)(33-83)(34-68)(35-47)(36-59)(37-44)(38-66)(39-67)(40-63)(41-96)(42-104)(43-106)(44-78)(45-92)(46-73)(47-77)(48-87)(49-61)(49-70)(50-63)(50-75)(51-57)(51-61)(52-53)(52-58)(53-84)(54-55)(54-59)(55-86)(56-62)(56-63)(57-60)(58-79)(59-82)(60-70)(62-64)(64-75)(65-89)(65-95)(66-77)(66-85)(67-77)(67-80)(68-74)(68-81)(69-74)(69-88)(70-84)(71-90)(71-91)(71-92)(72-78)(72-91)(72-93)(73-90)(73-93)(74-83)(75-86)(76-87)(76-94)(76-95)(78-89)(78-94)(79-97)(80-98)(81-100)(82-99)(83-96)(84-97)(85-88)(85-98)(86-99)(87-96)(88-100)(89-105)(90-106)(91-105)(92-101)(93-104)(94-102)(95-103)(97-107)(98-107)(99-107)(100-107)(106-107)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 5.2 | — | 10.1021/acs.jmedchem.4c00404 | 2024 |
| A549cisR | 7.1 | — | 10.1021/acs.jmedchem.4c00404 | 2024 |
| LLC | 15 | — | 10.1021/acs.jmedchem.4c00404 | 2024 |
| HLF | 28 | — | 10.1021/acs.jmedchem.4c00404 | 2024 |
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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