Detailed information for compound 428526

Basic information

Technical information
  • TDR Targets ID: 428526
  • Name: (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methox yphenyl]methylidene]-2-sulfanylidene-1,3-thia zolidin-4-one
  • MW: 391.892 | Formula: C18H14ClNO3S2
  • H donors: 1 H acceptors: 1 LogP: 4.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/SC(=S)NC1=O
  • InChi: 1S/C18H14ClNO3S2/c1-22-15-8-12(9-16-17(21)20-18(24)25-16)4-7-14(15)23-10-11-2-5-13(19)6-3-11/h2-9H,10H2,1H3,(H,20,21,24)/b16-9+
  • InChiKey: KITMBFVXUBXQIS-CXUHLZMHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-thioxo-thiazolidin-4-one
  • (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylene]-2-thioxo-4-thiazolidinone
  • (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
  • (5E)-5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzylidene]-2-thioxo-thiazolidin-4-one
  • 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
  • 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-thioxo-thiazolidin-4-one
  • 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylene]-2-thioxo-4-thiazolidinone
  • 5-[4-(4-chlorobenzyl)oxy-3-methoxy-benzylidene]-2-thioxo-thiazolidin-4-one
  • 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
  • ZINC02070573
  • STK004173

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ADAM metallopeptidase with thrombospondin type 1 motif, 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi ADAM-TS Spacer 1 family protein Get druggable targets OG5_126771 All targets in OG5_126771
Echinococcus granulosus a disintegrin and metalloproteinase with Get druggable targets OG5_126771 All targets in OG5_126771
Schistosoma japonicum ko:K08624 ADAM metallopeptidase with thrombospondin type 1 motif, 9, putative Get druggable targets OG5_126771 All targets in OG5_126771
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126771 All targets in OG5_126771
Schistosoma mansoni ADAMTS5 peptidase (M12 family) Get druggable targets OG5_126771 All targets in OG5_126771
Echinococcus multilocularis a disintegrin and metalloproteinase with Get druggable targets OG5_126771 All targets in OG5_126771
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0209 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Brugia malayi hypothetical protein 0.011 0.3961 0.1071
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0098 0.3237 0.3237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0209 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0209 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0209 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0209 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0209 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.011 0.3961 0.3961
Loa Loa (eye worm) hypothetical protein 0.0109 0.3905 0.0988
Brugia malayi Steroid receptor seven-up type 2 0.0209 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0098 0.3237 0.3237
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0209 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0209 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0098 0.3237 0.3237
Echinococcus granulosus Nuclear hormone receptor HR96 0.0098 0.3237 0.3237
Brugia malayi nuclear receptor NHR-88 0.0209 1 1
Schistosoma mansoni coup transcription factor 0.0209 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.3237 0.3237
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0209 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.3237 0.3237
Echinococcus multilocularis ecdysone induced protein 78C 0.0209 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.011 0.3961 0.3961
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0209 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0209 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0209 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Brugia malayi hypothetical protein 0.011 0.3961 0.1071
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0209 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0209 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0209 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0209 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.011 0.3961 0.3961
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.011 0.3961 0.3961
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0209 1 1
Onchocerca volvulus 0.0209 1 1
Schistosoma mansoni nuclear hormone receptor 0.0209 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.011 0.3961 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0209 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0098 0.3237 0.3237
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Schistosoma mansoni thyroid hormone receptor 0.0209 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0209 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0209 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0098 0.3237 0.3237
Schistosoma mansoni nuclear hormone receptor 0.0098 0.3237 0.3237
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0209 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0209 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0209 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0209 1 1
Brugia malayi nuclear receptor RXR 0.011 0.3961 0.1071
Brugia malayi Nuclear hormone receptor-like 1 0.011 0.3961 0.1071
Loa Loa (eye worm) hypothetical protein 0.011 0.3961 0.1071
Echinococcus granulosus nuclear receptor nhr 48 0.0098 0.3237 0.3237
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0098 0.3237 0.3237
Brugia malayi nuclear hormone receptor 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.3961 0.1071
Schistosoma mansoni retinoic acid receptor RXR 0.0209 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0098 0.3237 0.3237
Schistosoma mansoni nuclear receptor 0.0098 0.3237 0.3237
Echinococcus multilocularis FTZ F1 alpha 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0209 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0209 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0209 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0209 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0098 0.3237 0.3237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Schistosoma mansoni nuclear hormone receptor 0.0098 0.3237 0.3237
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0209 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.3961 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0209 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0098 0.3237 0.3237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0209 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0209 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0209 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0098 0.3237 0.3237
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.011 0.3961 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0209 1 1
Brugia malayi ADAM-TS Spacer 1 family protein 0.0109 0.3905 0.0988
Loa Loa (eye worm) hypothetical protein 0.0209 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0209 1 1
Schistosoma mansoni zinc finger protein 0.0098 0.3237 0.3237
Loa Loa (eye worm) hypothetical protein 0.011 0.3961 0.1071
Schistosoma mansoni nuclear receptor 0.0098 0.3237 0.3237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0209 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0209 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0098 0.3237 0.3237
Loa Loa (eye worm) hypothetical protein 0.011 0.3961 0.1071
Echinococcus granulosus FTZ F1 alpha 0.0209 1 1
Brugia malayi steroid hormone receptor 0.0209 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0209 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0209 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.5 uM Inhibition of ADAMTS5 ChEMBL. 17210251
IC50 (binding) = 3.5 uM Inhibition of ADAMTS5 ChEMBL. 17210251

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.