Detailed information for compound 1164083

Basic information

Technical information
  • TDR Targets ID: 1164083
  • Name: 5-[[3-methoxy-4-(phenylmethoxy)phenyl]methyli dene]-3-(phenylmethyl)-1,3-thiazolidine-2,4-d ione
  • MW: 431.504 | Formula: C25H21NO4S
  • H donors: 0 H acceptors: 2 LogP: 5.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1ccccc1)/C=C/1\SC(=O)N(C1=O)Cc1ccccc1
  • InChi: 1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-
  • InChiKey: UPUROXXFYNDNMU-HAHDFKILSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[[3-methoxy-4-(phenylmethoxy)phenyl]methylidene]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione
  • (5Z)-5-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-3-(phenylmethyl)thiazolidine-2,4-dione
  • 5-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-3-(phenylmethyl)thiazolidine-2,4-dione
  • (5Z)-3-(benzyl)-5-[4-(benzyloxy)-3-methoxy-benzylidene]thiazolidine-2,4-quinone
  • 3-(benzyl)-5-[4-(benzyloxy)-3-methoxy-benzylidene]thiazolidine-2,4-quinone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) exodeoxyribonuclease III family protein 0.0018 0.0158 0.0107
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0002
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.5035 0.5753
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.205 0.2757
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0089
Brugia malayi Bromodomain containing protein 0.0037 0.1038 0.1126
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0067 0.0002
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1016
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.205 1
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0089
Schistosoma mansoni zinc finger protein 0.0019 0.0193 0.026
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0931 0.1174
Brugia malayi Pre-SET motif family protein 0.0029 0.0657 0.0684
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Echinococcus granulosus geminin 0.0176 0.7436 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0067 0.0001
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0089
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0067 0.0328
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8702 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0241 0.0202
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.205 1
Brugia malayi PHD-finger family protein 0.0024 0.0434 0.0426
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0067 0.4246
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0944 0.1016
Echinococcus multilocularis geminin 0.0176 0.7436 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0067 0.4246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1426 0.1918
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0158 0.0125
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0158 0.1545
Brugia malayi Pre-SET motif family protein 0.0203 0.8702 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0067 0.009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.17 0.1892
Brugia malayi isocitrate dehydrogenase 0.0016 0.0067 0.0001
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0158 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.17 0.1892
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.205 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0106
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0327 0.0354
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0079 0.0018
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.205 1
Schistosoma mansoni hypothetical protein 0.002 0.0241 0.0324
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.205 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.1426 0.1846
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.2004 0.263
Loa Loa (eye worm) hypothetical protein 0.0052 0.17 0.1892
Loa Loa (eye worm) hypothetical protein 0.0069 0.2501 0.282
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0931 0.1174
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0158 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0657 0.0883
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0158 1
Echinococcus granulosus zinc finger protein 0.0019 0.0193 0.0172
Loa Loa (eye worm) hypothetical protein 0.0046 0.1426 0.1575
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0002
Schistosoma mansoni hypothetical protein 0.0016 0.0066 0.0089
Loa Loa (eye worm) hypothetical protein 0.004 0.1148 0.1253
Brugia malayi Bromodomain containing protein 0.0073 0.2694 0.3043
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0158 0.0107
Toxoplasma gondii exonuclease III APE 0.0018 0.0158 0.0459
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0158 0.5
Plasmodium vivax SET domain protein, putative 0.0029 0.0657 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.205 0.2692
Brugia malayi MH2 domain containing protein 0.0124 0.5035 0.5753
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0657 0.0802
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.5035 0.5753
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0158 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0193 0.0172
Schistosoma mansoni hypothetical protein 0.0176 0.7436 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.205 0.2692
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0158 0.0125
Schistosoma mansoni ap endonuclease 0.0018 0.0158 0.0213
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0158 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.1426 0.1846
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.205 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0079 0.0018
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0158 0.0459
Loa Loa (eye worm) hypothetical protein 0.0037 0.1041 0.1129
Schistosoma mansoni ap endonuclease 0.0018 0.0158 0.0213
Loa Loa (eye worm) hypothetical protein 0.0042 0.1234 0.1353
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0158 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0079 0.0106
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0607 0.0734
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0067 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.1426 0.1918
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.205 0.2757
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.17 0.1892
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0107 0.0047
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0158 0.0772
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0657 0.0883
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0067 0.0002
Schistosoma mansoni hypothetical protein 0.0035 0.0944 0.1269
Schistosoma mansoni hypothetical protein 0.0176 0.7436 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0657 0.2974
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0327 0.0354
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0067 0.4246
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0158 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0067 0.0002
Schistosoma mansoni bromodomain containing protein 0.0062 0.2165 0.2912
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.2004 0.263
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0327 0.044
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0067 0.4246

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 uM Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate ChEMBL. 20536182

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.

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