home← all complexes Ir builderC^N familiesD-MPNN

Complex #1614 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1614
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 1}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.O=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[Cl-]

TUCAN

C28Cl2F17NO2Ru/(1-14)(2-13)(3-13)(4-7)(4-15)(5-6)(5-16)(6-20)(7-14)(8-9)(8-14)(9-15)(10-11)(10-16)(11-17)(12-19)(12-24)(13-15)(16-18)(17-29)(18-29)(19-31)(20-30)(20-31)(21-22)(21-27)(21-34)(21-35)(22-23)(22-36)(22-37)(23-25)(23-38)(23-39)(24-27)(24-41)(24-43)(25-26)(25-40)(25-42)(26-28)(26-44)(26-45)(27-32)(27-33)(28-46)(28-47)(28-48)

Measurements (18)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR25— 10.1039/C3SC53185F 2014
A2780cisR25— 10.1021/jm5002748 2014
MDA-MB-23136— 10.1039/C3SC53185F 2014
MDA-MB-23136— 10.1021/jm5002748 2014
MCF-738— 10.1039/C3SC53185F 2014
MCF-738— 10.1021/jm5002748 2014
SW48041— 10.1021/acs.molpharmaceut.5b00... 2015
A54943— 10.1039/C3SC53185F 2014
A54943— 10.1021/jm5002748 2014
A278044— 10.1039/C3SC53185F 2014
A278044— 10.1021/jm5002748 2014
ECRF2453— 10.1021/acs.molpharmaceut.5b00... 2015
ECRF2456— 10.1021/jm501655t 2015
HUVEC—— 10.1021/jm501655t 2015
HEK293—— 10.1039/C3SC53185F 2014
LS 174T—— 10.1021/acs.molpharmaceut.5b00... 2015
HUVEC—— 10.1021/acs.molpharmaceut.5b00... 2015
HEK293—— 10.1021/jm5002748 2014

🧬 Cell Death Types (1)

Apoptosis high
«For 1, only a moderate induction of apoptosis was observed in A2780 cells»

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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