Detailed information for compound 1096769

Basic information

Technical information
  • TDR Targets ID: 1096769
  • Name: 5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]met hylidene]-1,3-thiazolidine-2,4-dione
  • MW: 380.245 | Formula: C17H11Cl2NO3S
  • H donors: 1 H acceptors: 2 LogP: 4.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)/C(=C/c2cccc(c2)OCc2ccc(cc2Cl)Cl)/S1
  • InChi: 1S/C17H11Cl2NO3S/c18-12-5-4-11(14(19)8-12)9-23-13-3-1-2-10(6-13)7-15-16(21)20-17(22)24-15/h1-8H,9H2,(H,20,21,22)/b15-7-
  • InChiKey: XQTSESLEAASMKJ-CHHVJCJISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
  • 5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[3-(2,4-dichlorobenzyl)oxybenzylidene]thiazolidine-2,4-quinone
  • 5-[3-(2,4-dichlorobenzyl)oxybenzylidene]thiazolidine-2,4-quinone
  • ZINC01005052
  • AG-690/09912058
  • 5-[3-(2,4-Dichloro-benzyloxy)-benzylidene]-thiazolidine-2,4-dione
  • BAS 00385194

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens insulin-like growth factor 1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129857 All targets in OG5_129857
Loa Loa (eye worm) TK/INSR protein kinase Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum ko:K04527 insulin receptor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus granulosus insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
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
Loa Loa (eye worm) hypothetical protein 0.0149 0.8628 0.8932
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0072 0.3348 0.3348
Schistosoma mansoni alpha glucosidase 0.0036 0.089 0.089
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.089 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.2569 0.2569
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.9554 0.9554
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.2569 0.2569
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.1494 1
Schistosoma mansoni hypothetical protein 0.0169 1 1
Schistosoma mansoni jumonji domain containing protein 0.0059 0.2439 0.2439
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0875 0.0875
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.1494 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.089 0.0572
Schistosoma mansoni tyrosine kinase 0.0158 0.9254 0.9254
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.109 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.089 0.089
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.2569 0.1938
Schistosoma mansoni tyrosine kinase 0.0072 0.3348 0.3348
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.109 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 0.9254 0.9653
Schistosoma mansoni alpha-glucosidase 0.014 0.8003 0.8003
Brugia malayi Furin-like cysteine rich region family protein 0.0072 0.3348 0.3246
Echinococcus granulosus epidermal growth factor receptor 0.0072 0.3348 0.3348
Brugia malayi jmjC domain containing protein 0.0061 0.2569 0.2399
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.1494 0.1494
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.1494 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.2742 0.2742
Echinococcus granulosus insulin receptor 0.0158 0.9254 0.9254
Echinococcus multilocularis muscleblind protein 0.0149 0.8628 0.8628
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.8487 0.8839
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.8487 0.8487
Echinococcus multilocularis geminin 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1042 0.0175
Schistosoma mansoni tyrosine kinase 0.0071 0.326 0.326
Echinococcus multilocularis epidermal growth factor receptor 0.0072 0.3348 0.3348
Brugia malayi Protein kinase domain containing protein 0.0158 0.9254 0.9673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.2742 0.2742
Schistosoma mansoni tyrosine kinase 0.0158 0.9254 0.9254
Schistosoma mansoni tyrosine kinase 0.0071 0.326 0.326
Brugia malayi Bromodomain containing protein 0.0078 0.3788 0.3725
Echinococcus multilocularis muscleblind protein 1 0.0149 0.8628 0.8628
Trypanosoma brucei glucosidase, putative 0.0036 0.089 0.5
Echinococcus granulosus muscleblind protein 0.0149 0.8628 0.8628
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.2439 0.2439
Loa Loa (eye worm) acetyltransferase 0.0147 0.8487 0.8768
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0158 0.9254 0.9254
Brugia malayi jmjC domain containing protein 0.0059 0.2439 0.2257
Loa Loa (eye worm) hypothetical protein 0.0044 0.1446 0.0642
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.109 0.5
Schistosoma mansoni tyrosine kinase 0.0072 0.3348 0.3348
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.9554 0.9554
Onchocerca volvulus 0.0094 0.4859 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0875 0.0875
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0158 0.9254 0.9254
Brugia malayi Protein kinase domain containing protein 0.0087 0.4413 0.4405
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.2439 0.2439
Brugia malayi Muscleblind-like protein 0.0149 0.8628 0.8993
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.089 0.089
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.9554 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.8047 0.8047
Loa Loa (eye worm) hypothetical protein 0.0046 0.1577 0.0792
Schistosoma mansoni tyrosine kinase 0.0072 0.3348 0.3348
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.089 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.1494 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.1494 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.4325 0.3965
Echinococcus granulosus epidermal growth factor receptor 0.0072 0.3348 0.3348
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.2439 0.2439
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.9554 0.9554
Echinococcus multilocularis insulin receptor 0.0158 0.9254 0.9254
Schistosoma mansoni hypothetical protein 0.0169 1 1
Schistosoma mansoni alpha-glucosidase 0.014 0.8003 0.8003
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.089 0.5
Loa Loa (eye worm) TK/EGFR protein kinase 0.0072 0.3348 0.2837
Schistosoma mansoni tyrosine kinase 0.0071 0.326 0.326
Schistosoma mansoni bromodomain containing protein 0.0067 0.2987 0.2987
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.2569 0.2569
Loa Loa (eye worm) hypothetical protein 0.0149 0.8628 0.8932
Loa Loa (eye worm) hypothetical protein 0.0071 0.3253 0.2727
Echinococcus multilocularis epidermal growth factor receptor 0.0072 0.3348 0.3348
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.9554 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.8487 0.8487
Brugia malayi Bromodomain containing protein 0.0042 0.128 0.0996

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.6 uM Inhibition of IGF1R by ELISA ChEMBL. 20178321
IC50 (functional) = 25.2 uM Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay ChEMBL. 20178321
IC50 (binding) > 100 uM Inhibition of IR by ELISA ChEMBL. 20178321

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.