Detailed information for compound 423488

Basic information

Technical information
  • TDR Targets ID: 423488
  • Name: (5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]met hylidene]-3-methyl-2-sulfanylidene-1,3-thiazo lidin-4-one
  • MW: 370.273 | Formula: C15H9Cl2NO2S2
  • H donors: 0 H acceptors: 1 LogP: 5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=S)N(C1=O)C
  • InChi: 1S/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)10-4-2-8(16)6-11(10)17/h2-7H,1H3/b13-7-
  • InChiKey: XTHRECBBXYAMLC-QPEQYQDCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
  • (5Z)-5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-4-thiazolidinone
  • 5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
  • 5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
  • 5-[[5-(2,4-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-4-thiazolidinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum enoyl-acyl carrier reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) Get druggable targets OG5_130466 All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium yoelii enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Trichomonas vaginalis hypothetical protein Get druggable targets OG5_130466 All targets in OG5_130466
Chlamydia trachomatis enoyl-acyl-carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium falciparum enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium knowlesi enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) Get druggable targets OG5_130466 All targets in OG5_130466
Neospora caninum enoyl-acyl carrier reductase, putative Get druggable targets OG5_130466 All targets in OG5_130466
Toxoplasma gondii enoyl-acyl carrier reductase ENR Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium berghei enoyl-acyl carrier reductase Get druggable targets OG5_130466 All targets in OG5_130466
Plasmodium vivax enoyl-acyl carrier protein reductase Get druggable targets OG5_130466 All targets in OG5_130466
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase Get druggable targets OG5_130466 All targets in OG5_130466
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
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0 0.5
Echinococcus granulosus histone deacetylase 1 0.0062 0 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0223 1 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0223 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0223 1 0.5
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0223 1 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.0223 1 1
Trypanosoma brucei histone deacetylase 1 0.0062 0 0.5
Loa Loa (eye worm) histone deacetylase 3 0.0062 0 0.5
Leishmania major histone deacetylase, putative 0.0062 0 0.5
Echinococcus multilocularis histone deacetylase 1 0.0062 0 0.5
Leishmania major histone deacetylase, putative 0.0062 0 0.5
Trichomonas vaginalis hypothetical protein 0.0223 1 1
Schistosoma mansoni histone deacetylase 0.0062 0 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0062 0 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0223 1 0.5
Echinococcus multilocularis histone deacetylase 3 0.0062 0 0.5
Giardia lamblia Histone deacetylase 0.0062 0 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0223 1 0.5
Entamoeba histolytica histone deacetylase, putative 0.0062 0 0.5
Schistosoma mansoni histone deacetylase 0.0062 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0 0.5
Brugia malayi Histone deacetylase 1 0.0062 0 0.5
Echinococcus granulosus histone deacetylase 3 0.0062 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells ChEMBL. 17477517
IC50 (binding) = 0.87 uM Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells ChEMBL. 17477517
IC50 (binding) = 0.87 uM Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells ChEMBL. 17477517
Ki (binding) 0 Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA ChEMBL. 17477517
Ki (binding) 0 Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH ChEMBL. 17477517

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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