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Complex #6164 — Re(1) [TRIP-1a]

2D Structure

Structure
⬇ MOL V3000

Info

ID6164
MetalRe
Oxidation state1
Charge1
Donor atoms{"N": 3, "O": 3}
AbbreviationTRIP-1a
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]

TUCAN

C25H19N3O3Re/(1-25)(2-23)(3-21)(4-21)(5-31)(6-21)(7-24)(8-20)(9-20)(10-22)(11-28)(12-27)(13-32)(14-26)(15-22)(16-22)(17-29)(18-30)(19-20)(20-33)(21-40)(22-41)(23-28)(23-39)(24-31)(24-34)(25-26)(25-34)(26-35)(27-32)(27-35)(28-33)(29-30)(29-39)(30-33)(31-40)(32-41)(34-37)(35-38)(36-45)(37-38)(37-46)(38-47)(39-45)(40-46)(41-47)(42-48)(43-49)(44-50)(45-51)(46-51)(47-51)

Measurements (13)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa1.4— 10.1021/acs.inorgchem.0c01442 2020
HeLa1.4— 10.1002/chem.201902223 2019
A5491.4— 10.1002/chem.201902223 2019
A27801.5— 10.1002/anie.202004883 2020
A27801.7— 10.1002/chem.201902223 2019
A2780-CP701.9— 10.1002/chem.201902223 2019
HEK2931.9— 10.1002/chem.201902223 2019
A375P4.8— 10.3389/fchem.2022.850638 2022
CaSki5— 10.3389/fchem.2022.850638 2022
HeLa5.3— 10.3389/fchem.2022.850638 2022
A2780TR13— 10.1002/anie.202004883 2020
HEK293T—— 10.3389/fchem.2022.850638 2022
C8-D1A—— 10.3389/fchem.2022.850638 2022

🧬 Cell Death Types (2)

Apoptosis high
«the parent complex in this series, TRIP-1a, increases the level of misfolded proteins in cells, which triggers ER stress. Subsequently, activation of the UPR and apoptosis ultimately lead to cell deat...»
Autophagy high
«After 24 h, a large increase in LC3II expression relative to LC3I was observed in cells treated with TRIP... Based on these results, it is clear that TRIP induces both autophagy and apoptosis.»

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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