Detailed information for compound 1421674

Basic information

Technical information
  • TDR Targets ID: 1421674
  • Name: N-[2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)- 1,3-thiazolidin-3-yl]ethyl]acetamide
  • MW: 296.365 | Formula: C12H12N2O3S2
  • H donors: 1 H acceptors: 3 LogP: 1.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NCCN1C(=O)S/C(=C\c2cccs2)/C1=O
  • InChi: 1S/C12H12N2O3S2/c1-8(15)13-4-5-14-11(16)10(19-12(14)17)7-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,13,15)/b10-7-
  • InChiKey: SXVIRFGTGADSKU-YFHOEESVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]acetamide
  • N-[2-[(5Z)-2,4-dioxo-5-(2-thienylmethylene)thiazolidin-3-yl]ethyl]acetamide
  • N-[2-[2,4-dioxo-5-(2-thienylmethylene)thiazolidin-3-yl]ethyl]acetamide
  • N-[2-[(5Z)-2,4-dioxo-5-(2-thienylmethylene)-3-thiazolidinyl]ethyl]acetamide
  • N-[2-[2,4-dioxo-5-(2-thienylmethylene)-3-thiazolidinyl]ethyl]acetamide
  • N-[2-[(5Z)-2,4-diketo-5-(2-thienylmethylene)thiazolidin-3-yl]ethyl]acetamide
  • N-[2-[2,4-diketo-5-(2-thienylmethylene)thiazolidin-3-yl]ethyl]acetamide
  • N-[2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]ethanamide
  • N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]ethanamide
  • ZINC03269630
  • MLS001006413
  • SMR000349323
  • T0510-7371

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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 0.0069 0.164 0.3533
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0099 0.0212
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0635 0.1368
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Echinococcus multilocularis muscleblind protein 0.018 0.4642 0.4642
Plasmodium falciparum ornithine aminotransferase 0.0021 0.0341 0.5
Echinococcus multilocularis geminin 0.0379 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.4642 1
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0341 0.0341
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0099 0.0099
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0149 0.3795 1
Brugia malayi ecdysteroid receptor 0.0012 0.0099 0.0212
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0099 0.0212
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0341 0.0341
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0099 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0149 0.3795 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0099 0.0212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0099 0.0212
Mycobacterium tuberculosis Probable aminotransferase 0.0149 0.3795 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0635 0.1368
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0099 0.0212
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0099 0.0099
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0099 0.0099
Mycobacterium ulcerans hypothetical protein 0.0149 0.3795 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0099 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0099 0.0212
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0099 0.0099
Echinococcus granulosus muscleblind protein 0.018 0.4642 0.4642
Schistosoma mansoni hypothetical protein 0.0379 1 1
Brugia malayi Muscleblind-like protein 0.018 0.4642 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0099 0.0212
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0099 0.0099
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0099 0.0212
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.018 0.4642 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0635 0.1368
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0099 0.0212
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Schistosoma mansoni hypothetical protein 0.0032 0.0635 0.0635
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0099 0.0099
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0099 0.0099
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0099 0.0099
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0099 0.0099
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0099 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0099 0.0212
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0099 0.0212
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0099 0.0099
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0099 0.0099
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0099 0.0212
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0099 0.0212
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0099 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0099 0.0212
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0099 0.0099
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0099 0.0099
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0635 0.0635
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0099 0.0099
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0635 0.0635
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Echinococcus granulosus GPCR family 2 0.0032 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0.0341 0.5
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0.0341 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.3162 0.6812
Echinococcus multilocularis muscleblind protein 1 0.018 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0099 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0099 0.0212
Brugia malayi steroid hormone receptor 0.0012 0.0099 0.0212
Schistosoma mansoni hypothetical protein 0.0032 0.0635 0.0635
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0099 0.0212
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0099 0.0212
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0099 0.0099
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0635 0.0635
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0099 0.0212
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0635 0.1368
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0099 0.0099
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0012 0.0099 0.0212
Brugia malayi nuclear hormone receptor 0.0012 0.0099 0.0212
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0021 0.0341 0.5
Echinococcus multilocularis GPCR, family 2 0.0032 0.0635 0.0635
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0099 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0099 0.0212
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0099 0.0099
Brugia malayi nuclear receptor NHR-88 0.0012 0.0099 0.0212
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0099 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0099 0.0099
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0149 0.3795 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.0069 0.164 0.164
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0099 0.5
Echinococcus granulosus Aminotransferase class III 0.0021 0.0341 0.0341
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0099 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0099 0.0212
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0099 0.0099
Brugia malayi MH2 domain containing protein 0.0126 0.3162 0.6812
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0635 0.0635
Schistosoma mansoni hypothetical protein 0.0032 0.0635 0.0635
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0099 0.0099
Schistosoma mansoni coup transcription factor 0.0012 0.0099 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2506 0.5399
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0.0341 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0099 0.0099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2506 0.5399
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0099 0.0099
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.164 0.3533
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0341 0.0735
Schistosoma mansoni hypothetical protein 0.0032 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0101 0.2506 0.5399
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.3162 0.6812
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0341 0.0341
Onchocerca volvulus 0.0012 0.0099 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0149 0.3795 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2506 0.5399
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.0379 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0099 0.0212

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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