home← all complexes Ir builderC^N familiesD-MPNN

Complex #5962 — Ir(3) [Ir2]

2D Structure

Structure
⬇ MOL V3000

Info

ID5962
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationIr2
SMILESOC[C@@H]1O[C@H](Oc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12

TUCAN

C55H42IrN6O6/(1-46)(2-50)(3-45)(4-94)(5-48)(6-49)(7-80)(8-47)(9-57)(10-52)(11-60)(12-58)(13-81)(14-53)(15-69)(16-91)(17-91)(18-61)(19-96)(20-97)(21-55)(22-64)(23-83)(24-95)(25-51)(26-56)(27-59)(28-54)(29-93)(30-68)(31-63)(32-70)(33-82)(34-65)(35-67)(36-62)(37-66)(38-99)(39-106)(40-108)(41-105)(42-104)(43-51)(43-71)(44-65)(44-72)(45-46)(45-52)(46-50)(47-58)(47-67)(48-74)(48-80)(49-57)(49-71)(50-73)(51-56)(52-74)(53-79)(53-81)(54-62)(54-76)(55-63)(55-75)(56-57)(58-79)(59-67)(59-78)(60-68)(60-72)(61-69)(61-92)(62-83)(63-69)(64-70)(64-82)(65-66)(66-68)(70-77)(71-84)(72-85)(73-74)(73-84)(75-90)(75-92)(76-87)(76-88)(77-86)(77-89)(78-79)(78-85)(80-100)(81-101)(82-102)(83-98)(84-100)(85-101)(86-88)(86-102)(87-89)(87-99)(88-98)(89-103)(90-99)(90-103)(91-96)(91-108)(92-107)(93-94)(93-95)(93-106)(94-96)(94-105)(95-97)(95-104)(96-109)(97-107)(97-109)(100-110)(101-110)(102-110)(103-110)(108-110)(109-110)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-7402—5 10.1016/j.jinorgbio.2022.11197... 2022
A549—0.2 10.1016/j.jinorgbio.2022.11197... 2022
HCT-116—0.8 10.1016/j.jinorgbio.2022.11197... 2022
B16—32 10.1016/j.jinorgbio.2022.11197... 2022
LO2—26 10.1016/j.jinorgbio.2022.11197... 2022

🧬 Cell Death Types (2)

Apoptosis high
«The cellular uptake, endoplasmic reticulum and mitochondria localization, reactive oxygen species, the change of mitochondrial membrane potential, γ-H2AX levels, cycle arrest, apoptosis and the expres...»
Immunogenic Cell Death high
«The calreticulin (CRT), heat shock protein 70 (HSP70), high mobility group box 1 (HMGB1) were explored. This study demonstrates that photoactivatable complexes induce cell death in A549 through ... im...»

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.

experimental validation surface
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