Info
| ID | 5957 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | CC(C)(C)c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(O)c(C(C)(C)C)c1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C57H48IrN6O/(1-52)(2-60)(3-58)(4-59)(5-62)(6-76)(7-61)(8-57)(9-72)(10-94)(11-64)(12-65)(13-52)(14-52)(15-53)(16-49)(17-49)(18-49)(19-67)(20-68)(21-50)(22-50)(23-74)(24-80)(25-50)(26-53)(27-53)(28-75)(29-77)(30-73)(31-79)(32-70)(33-97)(34-66)(35-51)(36-54)(37-54)(38-54)(39-63)(40-78)(41-69)(42-96)(43-71)(44-95)(45-51)(46-51)(47-107)(48-112)(49-92)(50-92)(51-92)(52-93)(53-93)(54-93)(55-62)(55-81)(56-72)(56-88)(57-64)(57-81)(58-62)(58-64)(59-61)(59-65)(60-61)(60-87)(63-73)(63-77)(65-82)(66-84)(66-85)(67-68)(67-95)(68-86)(69-76)(69-79)(70-87)(70-94)(71-77)(71-83)(72-76)(73-90)(74-80)(74-97)(75-85)(75-91)(78-90)(78-96)(79-88)(80-89)(81-98)(82-87)(82-98)(83-90)(83-102)(84-104)(84-105)(85-92)(86-100)(86-101)(88-102)(89-99)(89-103)(91-93)(91-105)(94-108)(95-110)(96-111)(97-106)(98-108)(99-100)(99-106)(100-110)(101-103)(101-109)(102-111)(103-107)(104-107)(104-109)(105-112)(108-113)(109-113)(110-113)(111-113)(112-113)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 30 | — | 10.1016/j.jinorgbio.2023.11214... | 2023 |
| A549 | — | — | 10.1016/j.jinorgbio.2023.11214... | 2023 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2023.11214... | 2023 |
| HeLa | — | — | 10.1016/j.jinorgbio.2023.11214... | 2023 |
| LO2 | — | — | 10.1016/j.jinorgbio.2023.11214... | 2023 |
🧬 Cell Death Types (2)
Apoptosis
high
«Ir1 and Ir2 induced apoptosis by changing the mitochondrial membrane potential, Ca2+ release, ROS accumulation, and cell cycle arrest at the S phase.»
Autophagy
high
«increased the expression of autophagy-related proteins of Beclin-1 and LC3-II.»
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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