home← all complexes Ir builderC^N familiesD-MPNN

Complex #4975 — Ir(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4975
MetalIr
Oxidation state3
Charge3
Donor atoms{"N": 4}
Abbreviation2
SMILESC[n+]1ccc[c-]c1-c1ccccn1.C[n+]1ccc[c-]c1-c1ccccn1.Cc1ccnc(-c2cc(C)ccn2)c1

TUCAN

C34H32IrN6/(1-33)(2-38)(3-53)(4-33)(5-40)(6-56)(7-39)(8-46)(9-41)(10-53)(11-33)(12-49)(13-53)(14-34)(15-34)(16-54)(17-43)(18-34)(19-57)(20-42)(21-47)(22-60)(23-58)(24-37)(25-45)(26-55)(27-44)(28-59)(29-54)(30-48)(31-54)(32-50)(33-51)(34-52)(35-38)(35-62)(36-48)(36-64)(37-51)(37-63)(38-41)(39-42)(39-43)(40-51)(40-55)(41-56)(42-57)(43-61)(44-47)(44-58)(45-52)(45-65)(46-52)(46-59)(47-50)(48-49)(49-60)(50-66)(53-67)(54-68)(55-71)(56-67)(57-69)(58-70)(59-72)(60-68)(61-62)(61-69)(62-67)(63-65)(63-71)(64-66)(64-68)(65-72)(66-70)(69-73)(70-73)(71-73)(72-73)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HMLER52— 10.1002/chem.201803521 2018
HMLERshEcad64— 10.1002/chem.201803521 2018
U2OS—— 10.1002/chem.201803521 2018
HepG2—— 10.1002/chem.201803521 2018

🧬 Cell Death Types (1)

Apoptosis high
«Immunoblotting studies showed that HMLER-shEcad cells treated with 3 (2.5, 5, and 10 mm for 72 h) expressed higher levels of cleaved caspase-3 and -7 than control cells, indicative of caspase-dependen...»

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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.