Info
| ID | 6049 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir2 |
| SMILES | [c-]1ccccc1-c1nccc2cc3c(cc12)OCO3.[c-]1ccccc1-c1nccc2cc3c(cc12)OCO3.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C44H28IrN4O4/(1-45)(2-60)(3-32)(4-31)(5-71)(6-61)(7-33)(8-59)(9-35)(10-71)(11-42)(12-72)(13-62)(14-39)(15-36)(16-37)(17-72)(18-47)(19-44)(20-41)(21-46)(22-50)(23-48)(24-43)(25-49)(26-34)(27-38)(28-40)(29-35)(29-51)(30-37)(30-53)(31-35)(31-36)(32-36)(32-51)(33-39)(33-54)(34-47)(34-56)(37-40)(38-40)(38-41)(39-60)(41-53)(42-52)(42-68)(43-55)(43-69)(44-48)(44-54)(45-57)(45-59)(46-57)(46-67)(47-61)(48-56)(49-58)(49-70)(50-58)(50-62)(51-63)(52-57)(52-63)(53-66)(54-64)(55-58)(55-66)(56-65)(59-73)(60-75)(61-76)(62-74)(63-73)(64-65)(64-75)(65-76)(66-74)(67-68)(67-78)(68-77)(69-70)(69-79)(70-80)(71-77)(71-78)(72-79)(72-80)(73-81)(74-81)(75-81)(76-81)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 1.7 | — | 10.1016/j.apsb.2024.06.017 | 2025 |
| NCI-H460 | 2.1 | — | 10.1016/j.apsb.2024.06.017 | 2025 |
| A549 | 2.8 | — | 10.1016/j.apsb.2024.06.017 | 2025 |
| MGC-803 | 2.9 | — | 10.1016/j.apsb.2024.06.017 | 2025 |
🧬 Cell Death Types (3)
Autophagy
high
«Ir-1 could trigger autophagy-dependent ferroptosis and a subsequent ferroptosis-dependent ICD response as well as indoleamine 2,3-dioxygenase (IDO) inhibition via reactive oxygen species (ROS)-mediate...»
Ferroptosis
high
«Ir-1 could trigger autophagy-dependent ferroptosis and a subsequent ferroptosis-dependent ICD response as well as indoleamine 2,3-dioxygenase (IDO) inhibition via reactive oxygen species (ROS)-mediate...»
Immunogenic Cell Death
high
«Ir-1 could trigger autophagy-dependent ferroptosis and a subsequent ferroptosis-dependent ICD response as well as indoleamine 2,3-dioxygenase (IDO) inhibition via reactive oxygen species (ROS)-mediate...»
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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