Info
| ID | 5556 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | OnIr3 |
| SMILES | [c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1 |
| 3D Structure | ✓ Available (RDKit + xTB GFN2) |
TUCAN
C54H34IrN6S2/(1-38)(2-55)(3-45)(4-58)(5-56)(6-64)(7-49)(8-61)(9-43)(10-62)(11-57)(12-67)(13-44)(14-65)(15-37)(16-68)(17-46)(18-51)(19-50)(20-75)(21-40)(22-53)(23-59)(24-76)(25-41)(26-47)(27-66)(28-54)(29-42)(30-39)(31-52)(32-60)(33-63)(34-48)(35-43)(35-70)(36-65)(36-74)(37-46)(37-49)(38-49)(38-78)(39-52)(39-79)(40-52)(40-57)(41-51)(41-53)(42-53)(42-80)(43-55)(44-55)(44-56)(45-47)(45-82)(46-69)(47-69)(48-66)(48-71)(50-73)(50-77)(51-85)(54-73)(54-75)(56-70)(57-86)(58-72)(58-76)(59-72)(59-83)(60-63)(60-71)(61-66)(61-67)(62-68)(62-74)(63-84)(64-65)(64-68)(67-81)(69-78)(70-82)(71-81)(72-87)(73-88)(74-84)(75-93)(76-90)(77-83)(77-93)(78-91)(79-86)(79-94)(80-85)(80-89)(81-92)(82-91)(83-90)(84-92)(85-95)(86-96)(87-94)(87-96)(88-89)(88-95)(91-97)(92-97)(93-97)(94-97)(95-97)(96-97)
Measurements (23)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 0.64 | — | 10.1039/C8SC01142G | 2018 |
| MCF-7 | 1.1 | — | 10.1039/C8SC01142G | 2018 |
| KCP4 | 1.2 | — | 10.1039/C8SC01142G | 2018 |
| MCF-7/DOX | 1.3 | — | 10.1039/C8SC01142G | 2018 |
| KB-3-1 | 1.4 | — | 10.1039/C8SC01142G | 2018 |
| KB-C2 | 1.5 | — | 10.1039/C8SC01142G | 2018 |
| HeLa | 1.5 | — | 10.1039/C8SC01142G | 2018 |
| HCT-116 | 1.6 | — | 10.1039/C8SC01142G | 2018 |
| KB-CV60 | 1.7 | — | 10.1039/C8SC01142G | 2018 |
| NCI-H460 | 1.7 | — | 10.1039/C8SC01142G | 2018 |
| H460/MX20 | 1.8 | — | 10.1039/C8SC01142G | 2018 |
| BEL-7404 | 1.8 | — | 10.1039/C8SC01142G | 2018 |
| KB/ATO | 2 | — | 10.1039/C8SC01142G | 2018 |
| BEL-7404R | 2 | — | 10.1039/C8SC01142G | 2018 |
| SW620 | 2.1 | — | 10.1039/C8SC01142G | 2018 |
| A549 | 2.1 | — | 10.1039/C8SC01142G | 2018 |
| BEL-7402 | 2.3 | — | 10.1039/C8SC01142G | 2018 |
| SK-OV-3 | 2.4 | — | 10.1039/C8SC01142G | 2018 |
| SKOV/Pt | 2.8 | — | 10.1039/C8SC01142G | 2018 |
| HEK293 | 3 | — | 10.1039/C8SC01142G | 2018 |
| SW620/AD300 | 3.9 | — | 10.1039/C8SC01142G | 2018 |
| HepG2 | 4.9 | — | 10.1039/C8SC01142G | 2018 |
| HL-7702 | 10 | — | 10.1039/C8SC01142G | 2018 |
🔬 3D Structure (xTB GFN2)