Info
| ID | 6111 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir-NPX-2 |
| SMILES | COc1ccc2cc(C(C)C(=O)OCc3ccnc(-c4cc(COC(=O)C(C)c5ccc6cc(OC)ccc6c5)ccn4)c3)ccc2c1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1 |
TUCAN
C58H48IrN4O6S2/(1-53)(2-103)(3-68)(4-70)(5-49)(6-58)(7-88)(8-63)(9-95)(10-55)(11-54)(12-76)(13-85)(14-49)(15-62)(16-104)(17-56)(18-87)(19-95)(20-64)(21-97)(22-86)(23-57)(24-95)(25-73)(26-71)(27-65)(28-49)(29-60)(30-59)(31-97)(32-69)(33-98)(34-50)(35-90)(36-96)(37-61)(38-67)(39-89)(40-50)(41-75)(42-98)(43-96)(44-96)(45-72)(46-50)(47-66)(48-74)(49-85)(50-86)(51-53)(51-105)(52-71)(52-106)(53-103)(54-55)(54-91)(55-68)(56-73)(56-92)(57-80)(57-88)(58-78)(58-82)(59-81)(59-90)(60-61)(60-78)(61-99)(62-63)(62-77)(63-82)(64-80)(64-93)(65-69)(65-84)(66-67)(66-79)(67-100)(68-87)(69-83)(70-77)(70-99)(71-104)(72-73)(72-89)(74-81)(74-94)(75-79)(75-83)(76-84)(76-100)(77-78)(79-84)(80-97)(81-98)(82-85)(83-86)(85-101)(86-102)(87-107)(88-109)(89-108)(90-110)(91-105)(91-107)(92-106)(92-108)(93-94)(93-109)(94-110)(95-113)(96-115)(97-114)(98-116)(99-113)(100-115)(101-111)(101-114)(102-112)(102-116)(103-117)(104-118)(105-117)(106-118)(107-119)(108-119)(109-119)(110-119)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 1.6 | — | 10.1039/d4dt00575a | 2024 |
| HeLa | 2.6 | — | 10.1039/d4dt00575a | 2024 |
| HepG2 | 3.2 | — | 10.1039/d4dt00575a | 2024 |
| A549 | 3.4 | — | 10.1039/d4dt00575a | 2024 |
| LO2 | 4.5 | — | 10.1039/d4dt00575a | 2024 |
🧬 Cell Death Types (2)
Apoptosis
high
«induced apoptosis in A549R cells by damaging the structure and function of mitochondria»
Immunogenic Cell Death
high
«release of immunogenic cell death (ICD) related signaling molecules such as damage-associated molecular patterns (DAMPs) (cell surface calreticulin (CRT), high mobility group box 1 (HMGB1), and adenos...»
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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