Info
| ID | 5855 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir3 |
| SMILES | Cc1ccnc(-c2cc(C(=O)OCCOCCOCCOCCO)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C50H46IrN4O6/(1-95)(2-64)(3-51)(4-67)(5-70)(6-52)(7-56)(8-71)(9-57)(10-50)(11-54)(12-55)(13-60)(14-63)(15-88)(16-89)(17-89)(18-90)(19-90)(20-94)(21-94)(22-93)(23-93)(24-91)(25-91)(26-73)(27-81)(28-58)(29-47)(30-47)(31-88)(32-47)(33-92)(34-80)(35-62)(36-69)(37-53)(38-65)(39-95)(40-92)(41-66)(42-59)(43-68)(44-61)(45-72)(46-102)(47-76)(48-67)(48-74)(49-69)(49-78)(50-52)(50-54)(51-52)(51-83)(53-57)(53-61)(54-75)(55-56)(55-75)(56-82)(57-71)(58-76)(58-81)(59-76)(59-87)(60-67)(60-70)(61-79)(62-68)(62-79)(63-69)(63-72)(64-70)(64-74)(65-72)(65-78)(66-77)(66-80)(68-84)(71-85)(73-77)(73-86)(74-82)(75-83)(77-96)(78-84)(79-85)(80-98)(81-99)(82-97)(83-97)(84-100)(85-100)(86-87)(86-98)(87-99)(88-89)(88-103)(89-105)(90-94)(90-105)(91-93)(91-106)(92-95)(92-102)(93-104)(94-104)(95-103)(96-101)(96-106)(97-107)(98-107)(99-107)(100-107)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 1.4 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| MCF-7 | 1.9 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| A2780cisR | 2 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| HEK293 | 2.5 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| PC-3 | 2.6 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
| A549 | 4.7 | — | 10.1021/acs.jmedchem.3c00336 | 2023 |
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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