home← all complexes Ir builderC^N familiesD-MPNN

Complex #8810 — Ir(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID8810
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 5, "O": 1}
Abbreviation
SMILES[c-]1cc(N2CCOCC2)cc[n+]1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR0.23 10.1073/pnas.2316615121 2024
HCT-1160.38 10.1073/pnas.2316615121 2024
PLC0.43 10.1073/pnas.2316615121 2024
A27800.51 10.1073/pnas.2316615121 2024
MCF-70.63 10.1073/pnas.2316615121 2024
MDA-MB-2310.66 10.1073/pnas.2316615121 2024
HeLa0.78 10.1073/pnas.2316615121 2024
NCI-H4600.82 10.1073/pnas.2316615121 2024
CCD-19Lu5.3 10.1073/pnas.2316615121 2024

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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