home← all complexes D-MPNN

Complex #5554 — Ir(3) [OnIr1]

Info

ID5554
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationOnIr1
SMILES[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
3D Structure✓ Available (RDKit + xTB GFN2)

TUCAN

C46H30IrN6S2/(1-45)(2-46)(3-41)(4-50)(5-55)(6-53)(7-38)(8-39)(9-48)(10-33)(11-56)(12-64)(13-58)(14-40)(15-49)(16-51)(17-65)(18-44)(19-43)(20-35)(21-63)(22-36)(23-66)(24-37)(25-34)(26-52)(27-42)(28-47)(29-57)(30-54)(31-38)(31-59)(32-56)(32-62)(33-42)(33-50)(34-43)(34-67)(35-61)(35-68)(36-43)(36-49)(37-60)(37-65)(38-45)(39-45)(39-46)(40-41)(40-64)(41-48)(42-52)(44-61)(44-63)(46-59)(47-54)(47-57)(48-71)(49-74)(50-73)(51-60)(51-70)(52-69)(53-58)(53-62)(54-66)(55-56)(55-58)(57-72)(59-71)(60-75)(61-76)(62-72)(63-77)(64-79)(65-80)(66-82)(67-74)(67-78)(68-70)(68-77)(69-73)(69-81)(70-80)(71-79)(72-82)(73-84)(74-83)(75-78)(75-83)(76-81)(76-84)(79-85)(80-85)(81-85)(82-85)(83-85)(84-85)

Measurements (25)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR0.48 10.1039/C8SC01142G 2018
NCI-H4600.62 10.1039/C8SC01142G 2018
H460/MX200.76 10.1039/C8SC01142G 2018
BEL-74040.84 10.1039/C8SC01142G 2018
HeLa0.95 10.1039/C8SC01142G 2018
KB-CV601.1 10.1039/C8SC01142G 2018
KB-3-11.1 10.1039/C8SC01142G 2018
KB-C21.2 10.1039/C8SC01142G 2018
BEL-7404R1.2 10.1039/C8SC01142G 2018
KCP41.3 10.1039/C8SC01142G 2018
KB/ATO1.4 10.1039/C8SC01142G 2018
A5491.5 10.1039/C8SC01142G 2018
HepG21.6 10.1039/C8SC01142G 2018
MCF-71.6 10.1039/C8SC01142G 2018
MCF-7/DOX1.6 10.1039/C8SC01142G 2018
HCT-1161.7 10.1039/C8SC01142G 2018
BEL-74021.8 10.1039/C8SC01142G 2018
SK-OV-31.8 10.1039/C8SC01142G 2018
SW6201.9 10.1039/C8SC01142G 2018
SKOV/Pt2 10.1039/C8SC01142G 2018
HEK2933.1 10.1039/C8SC01142G 2018
SW620/AD3005.3 10.1039/C8SC01142G 2018
HL-770216 10.1039/C8SC01142G 2018
MCF-7250.5 10.1021/acs.jmedchem.3c01875 2023
MCF-7332.2 10.1021/acs.jmedchem.3c01875 2023
🔬 3D Structure (xTB GFN2)