Info
| ID | 5974 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-PTS-4 |
| SMILES | COc1cc(/C=C/c2ccc(OCC(=O)NCc3ccnc(-c4cc(C)ccn4)c3)cc2)cc(OC)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C60H49IrN5O4/(1-61)(2-57)(3-58)(4-104)(5-104)(6-56)(7-67)(8-54)(9-60)(10-63)(11-81)(12-79)(13-78)(14-80)(15-96)(16-55)(17-104)(18-70)(19-53)(20-72)(21-105)(22-68)(23-69)(24-105)(25-96)(26-103)(27-103)(28-103)(29-74)(30-84)(31-83)(32-95)(33-50)(34-50)(35-94)(36-59)(37-85)(38-64)(39-82)(40-76)(41-66)(42-50)(43-77)(44-71)(45-62)(46-65)(47-75)(48-73)(49-110)(50-87)(51-60)(51-88)(52-70)(52-89)(53-54)(53-63)(54-61)(55-57)(55-78)(56-58)(56-98)(57-60)(58-86)(59-62)(59-71)(61-97)(62-99)(63-86)(64-91)(64-107)(65-93)(65-102)(66-87)(66-100)(67-106)(67-107)(68-69)(68-108)(69-92)(70-81)(71-79)(72-80)(72-81)(73-82)(73-101)(74-84)(74-92)(75-85)(75-92)(76-93)(76-95)(77-87)(77-94)(78-88)(79-90)(80-89)(82-90)(83-91)(83-106)(84-91)(85-108)(86-97)(88-98)(89-101)(90-99)(93-96)(94-113)(95-114)(96-110)(97-111)(98-111)(99-112)(100-102)(100-113)(101-112)(102-114)(103-118)(104-116)(105-109)(105-117)(106-118)(107-116)(108-117)(109-110)(109-115)(111-119)(112-119)(113-119)(114-119)(118-119)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 1.9 | — | 10.1016/j.jinorgbio.2023.11242... | 2024 |
| 4T1 | 3.6 | — | 10.1016/j.jinorgbio.2023.11242... | 2024 |
| MCF-10A | 6.5 | — | 10.1016/j.jinorgbio.2023.11242... | 2024 |
🧬 Cell Death Types (1)
Autophagy
high
«eventually leading to autophagic cell death»
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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