home← all complexes Ir builderC^N familiesD-MPNN

Complex #4977 — Ir(3) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4977
MetalIr
Oxidation state3
Charge3
Donor atoms{"N": 4}
Abbreviation4
SMILESC[n+]1ccc[c-]c1-c1ccccn1.C[n+]1ccc[c-]c1-c1ccccn1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C46H36IrN6/(1-40)(2-71)(3-69)(4-42)(5-47)(6-39)(7-72)(8-50)(9-44)(10-41)(11-69)(12-69)(13-73)(14-49)(15-48)(16-53)(17-75)(18-74)(19-43)(20-61)(21-76)(22-56)(23-57)(24-54)(25-45)(26-60)(27-51)(28-55)(29-59)(30-58)(31-46)(32-70)(33-62)(34-70)(35-70)(36-52)(37-43)(37-78)(38-61)(38-82)(39-40)(39-48)(40-64)(41-47)(41-48)(42-49)(42-63)(43-50)(44-45)(44-80)(45-46)(46-74)(47-64)(49-67)(50-71)(51-52)(51-81)(52-62)(53-65)(53-72)(54-57)(54-58)(55-57)(55-66)(56-68)(56-73)(58-59)(59-66)(60-61)(60-75)(62-76)(63-65)(63-77)(64-65)(66-68)(67-68)(67-79)(69-83)(70-84)(71-83)(72-85)(73-86)(74-87)(75-84)(76-88)(77-79)(77-85)(78-80)(78-83)(79-86)(80-87)(81-82)(81-88)(82-84)(85-89)(86-89)(87-89)(88-89)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HMLER9.1— 10.1002/chem.201803521 2018
HMLERshEcad14— 10.1002/chem.201803521 2018
HepG234— 10.1002/chem.201803521 2018
U2OS38— 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
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