Detailed information for compound 649664

Basic information

Technical information
  • TDR Targets ID: 649664
  • Name: 5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)m ethylidene]-3-(phenylmethyl)-1,3-thiazolidine -2,4-dione
  • MW: 413.874 | Formula: C21H16ClNO4S
  • H donors: 0 H acceptors: 2 LogP: 4.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCOc1c(Cl)cc(cc1OC)C=C1SC(=O)N(C1=O)Cc1ccccc1
  • InChi: 1S/C21H16ClNO4S/c1-3-9-27-19-16(22)10-15(11-17(19)26-2)12-18-20(24)23(21(25)28-18)13-14-7-5-4-6-8-14/h1,4-8,10-12H,9,13H2,2H3/b18-12-
  • InChiKey: ZIMQKXQRIXOPSD-PDGQHHTCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione
  • 5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-(phenylmethyl)thiazolidine-2,4-dione
  • (5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-(phenylmethyl)thiazolidine-2,4-dione
  • (5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylene]-3-(phenylmethyl)thiazolidine-2,4-dione
  • 5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylene]-3-(phenylmethyl)thiazolidine-2,4-dione
  • (5Z)-3-(benzyl)-5-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone
  • 3-(benzyl)-5-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)thiazolidine-2,4-quinone
  • (5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione
  • 5-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-3-(phenylmethyl)-1,3-thiazolidine-2,4-dione
  • ZINC02843858

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) MH2 domain-containing protein 0.0115 0.6832 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1751 0.4746
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.1029 0.2789
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3286 0.3286
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0276 0.0276
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.3286 0.481
Echinococcus granulosus chromobox protein 1 0.0067 0.369 0.369
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0011 0 0.5
Onchocerca volvulus 0.003 0.1217 0.6276
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0276 0.0404
Echinococcus multilocularis GPCR, family 2 0.0015 0.0276 0.0276
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0276 0.0276
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1939 0.5254
Trichomonas vaginalis chromobox protein, putative 0.0067 0.369 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.2432 0.356
Entamoeba histolytica hypothetical protein 0.0011 0 0.5
Entamoeba histolytica hypothetical protein 0.0011 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.6832 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3286 0.3286
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0276 0.0276
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.5
Schistosoma mansoni chromobox protein 0.0067 0.369 0.369
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1751 0.4746
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0011 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3286 0.3286
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2432 0.356
Entamoeba histolytica hypothetical protein 0.0011 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0011 0 0.5
Echinococcus multilocularis chromobox protein 1 0.0067 0.369 0.369
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1939 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2432 0.356
Schistosoma mansoni hypothetical protein 0.0015 0.0276 0.0276
Plasmodium vivax heterochromatin protein 1, putative 0.0011 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.1029 0.2789
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0276 0.0404
Brugia malayi Heterochromatin protein 1 0.0067 0.369 0.5402
Echinococcus granulosus tar DNA binding protein 0.0061 0.3286 0.3286
Loa Loa (eye worm) hypothetical protein 0.003 0.1217 0.1781
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0011 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0011 0 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0276 0.0276
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3286 0.3286
Schistosoma mansoni hypothetical protein 0.0015 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0033 0.1434 0.2099
Echinococcus granulosus chromobox protein 1 0.0067 0.369 0.369
Brugia malayi TAR-binding protein 0.0061 0.3286 0.481
Schistosoma mansoni tar DNA-binding protein 0.0061 0.3286 0.3286
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1939 0.5254
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.369 0.5402
Echinococcus multilocularis tar DNA binding protein 0.0061 0.3286 0.3286
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0 0.5
Echinococcus granulosus GPCR family 2 0.0015 0.0276 0.0276
Schistosoma mansoni hypothetical protein 0.0164 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2432 0.356
Echinococcus multilocularis chromobox protein 1 0.0067 0.369 0.369
Loa Loa (eye worm) hypothetical protein 0.0038 0.1751 0.2563
Loa Loa (eye worm) RNA binding protein 0.0061 0.3286 0.481
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0276 0.0276
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.3286 0.481
Brugia malayi RNA binding protein 0.0061 0.3286 0.481
Plasmodium falciparum heterochromatin protein 1 0.0011 0 0.5
Brugia malayi MH2 domain containing protein 0.0115 0.6832 1
Schistosoma mansoni hypothetical protein 0.0164 1 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0276 0.0404
Echinococcus multilocularis geminin 0.0164 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1434 0.2099
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.1751 0.9031
Schistosoma mansoni chromobox protein 0.0067 0.369 0.369
Trichomonas vaginalis chromobox protein, putative 0.0067 0.369 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0276 0.0404
Schistosoma mansoni hypothetical protein 0.0033 0.1434 0.1434
Brugia malayi chromobox protein homolog 3 0.0038 0.1751 0.2563
Schistosoma mansoni hypothetical protein 0.0015 0.0276 0.0276
Loa Loa (eye worm) TAR-binding protein 0.0061 0.3286 0.481

Activities

No activities found for this compound.

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

No literature references available for this target.

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