Detailed information for compound 1401186

Basic information

Technical information
  • TDR Targets ID: 1401186
  • Name: 2-[[2,4-dioxo-3-(phenylmethyl)-1,3-thiazolidi n-5-yl]-(4-methylphenyl)amino]acetamide
  • MW: 369.437 | Formula: C19H19N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CN(C1SC(=O)N(C1=O)Cc1ccccc1)c1ccc(cc1)C
  • InChi: 1S/C19H19N3O3S/c1-13-7-9-15(10-8-13)21(12-16(20)23)18-17(24)22(19(25)26-18)11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H2,20,23)
  • InChiKey: PSLASVBXAGOQGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2,4-dioxo-3-(phenylmethyl)thiazolidin-5-yl]-(4-methylphenyl)amino]acetamide
  • 2-[[2,4-dioxo-3-(phenylmethyl)-5-thiazolidinyl]-(4-methylphenyl)amino]acetamide
  • 2-[[3-(benzyl)-2,4-diketo-thiazolidin-5-yl]-(4-methylphenyl)amino]acetamide
  • 2-[[2,4-dioxo-3-(phenylmethyl)-1,3-thiazolidin-5-yl]-(4-methylphenyl)amino]ethanamide
  • Oprea1_754971
  • BAS 03107758
  • Oprea1_317011
  • STK039368
  • 2-[(3-Benzyl-2,4-dioxo-thiazolidin-5-yl)-p-tolyl-amino]-acetamide
  • MLS000068856
  • SMR000011911

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
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0617 0.497
Loa Loa (eye worm) hypothetical protein 0.0106 0.2527 0.3392
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0107 0.2542 0.2542
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0027 0.0043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0999 0.0999
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0067 0.0067
Plasmodium falciparum importin beta, putative 0.0028 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.2329 0.3126
Echinococcus granulosus importin subunit beta 1 0.0028 0.0576 0.0576
Schistosoma mansoni hypothetical protein 0.0031 0.0645 0.0645
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0645 0.0645
Schistosoma mansoni cpg binding protein 0.0028 0.0577 0.0577
Schistosoma mansoni hypothetical protein 0.0031 0.0645 0.0645
Brugia malayi Doublecortin family protein 0.0018 0.0313 0.05
Leishmania major GTP-binding protein, putative 0.0021 0.0388 0.8795
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0388 0.6744
Plasmodium vivax importin-beta 2, putative 0.0028 0.0576 0.9342
Brugia malayi MH2 domain containing protein 0.0118 0.2824 0.4507
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0617 0.0617
Schistosoma mansoni hypothetical protein 0.0166 0.404 0.404
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0388 0.0388
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0645 0.0645
Echinococcus granulosus geminin 0.0166 0.404 0.404
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0027 0.0043
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0027 0.0043
Echinococcus multilocularis lipoxygenase domain containing protein 0.0018 0.0313 0.0313
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0388 0.062
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0067 0.009
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0388 0.63
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0106 0.2527 0.3392
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0999 0.0999
Brugia malayi Importin beta-1 subunit 0.0028 0.0576 0.092
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0645 0.103
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2824 0.379
Echinococcus granulosus GPCR family 2 0.0031 0.0645 0.0645
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0999 0.1341
Trichomonas vaginalis set domain proteins, putative 0.0233 0.5717 0.9126
Loa Loa (eye worm) hypothetical protein 0.003 0.0617 0.0828
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2824 0.379
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0577 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0067 0.0067
Schistosoma mansoni smad1 5 8 and 0.0008 0.0067 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Echinococcus multilocularis smad 0.0008 0.0067 0.0067
Trichomonas vaginalis ran, putative 0.0021 0.0388 0.062
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.429 0.6848
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0027 0.0043
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1241 1
Schistosoma mansoni importin beta-1 0.0028 0.0576 0.0576
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Schistosoma mansoni loxhd1 0.0018 0.0313 0.0313
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0067 0.0067
Echinococcus multilocularis transcription factor eb 0.0107 0.254 0.254
Echinococcus multilocularis RUN 0.0018 0.0313 0.0313
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0576 0.0576
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.2329 0.3718
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Echinococcus granulosus lipoxygenase domain containing protein 0.0018 0.0313 0.0313
Schistosoma mansoni ran 0.0021 0.0388 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Plasmodium falciparum LCCL domain-containing protein 0.0018 0.0313 0.5434
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0255 0.6264 1
Brugia malayi hypothetical protein 0.0018 0.0313 0.05
Echinococcus multilocularis snurportin 1 0.0302 0.7449 0.7449
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Echinococcus granulosus snurportin 1 0.0302 0.7449 0.7449
Plasmodium vivax SET domain protein, putative 0.003 0.0617 1
Schistosoma mansoni hypothetical protein 0.0302 0.7449 0.7449
Schistosoma mansoni hypothetical protein 0.0018 0.0313 0.0313
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0617 0.0617
Loa Loa (eye worm) Smad1 0.0008 0.0067 0.009
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0388 0.6744
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0027 0.0043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.5009 0.6724
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0107 0.2542 0.2542
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.0166 0.404 0.404
Brugia malayi MH1 domain containing protein 0.0008 0.0067 0.0107
Brugia malayi MH2 domain containing protein 0.0008 0.0067 0.0107
Schistosoma mansoni cpg binding protein 0.003 0.0618 0.0618
Echinococcus granulosus cpg binding protein 0.003 0.0618 0.0618
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0442 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0999 0.0999
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0388 0.5
Loa Loa (eye worm) doublecortin family protein 0.0018 0.0313 0.042
Echinococcus granulosus RUN 0.0018 0.0313 0.0313
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0617 0.0617
Brugia malayi MH1 domain containing protein 0.0008 0.0067 0.0107
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0027 0.0043
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0027 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0999 0.0999
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Echinococcus multilocularis lipoxygenase domain containing protein 0.0018 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0028 0.0576 0.0773
Brugia malayi RNA, U transporter 1 0.0081 0.1886 0.301
Echinococcus multilocularis cpg binding protein 0.003 0.0618 0.0618
Entamoeba histolytica Ran family GTPase 0.0021 0.0388 0.8795
Schistosoma mansoni rab6-interacting 0.0018 0.0313 0.0313
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0645 0.0866
Leishmania major importin beta-1 subunit, putative 0.0023 0.0442 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0018 0.0313 0.5076
Loa Loa (eye worm) hypothetical protein 0.0018 0.0313 0.042
Onchocerca volvulus 0.0233 0.5717 1
Schistosoma mansoni Smad4 0.0008 0.0067 0.0067
Echinococcus multilocularis GPCR, family 2 0.0031 0.0645 0.0645
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0067 0.009
Entamoeba histolytica hypothetical protein 0.0023 0.0442 1
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0617 0.0617
Trichomonas vaginalis helicase, putative 0.0006 0.0027 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Brugia malayi Smad1 0.0008 0.0067 0.0107
Brugia malayi Pre-SET motif family protein 0.003 0.0617 0.0984
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0255 0.6264 0.8409
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0069 0.0069
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0388 0.3131
Schistosoma mansoni smad1 5 8 and 0.0008 0.0067 0.0067
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0069 0.0069
Echinococcus granulosus Smad4 0.0008 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0067 0.155 0.155
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0576 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0645 0.103
Schistosoma mansoni cpg binding protein 0.003 0.0618 0.0618
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0617 0.0617
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0999 0.0999
Schistosoma mansoni smad1 5 8 and 0.0008 0.0067 0.0067
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0576 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.155 0.208
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6264 1
Schistosoma mansoni rab6-interacting 0.0018 0.0313 0.0313
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0113 0.0113
Echinococcus granulosus transcription factor eb 0.0107 0.254 0.254
Schistosoma mansoni lipoxygenase 0.0107 0.2542 0.2542
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.011 0.0176
Brugia malayi Pre-SET motif family protein 0.0205 0.5009 0.7995
Onchocerca volvulus Glucosylceramidase homolog 0.0167 0.4064 0.6941
Echinococcus granulosus smad 0.0008 0.0067 0.0067
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0645 0.0645
Schistosoma mansoni polycystin 1-related 0.0018 0.0313 0.0313
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.2329 0.3718
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0442 0.0705
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1402 0.1402
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0069 0.0069
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0617 0.0617
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6264 1
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0388 0.0521
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0388 0.0388
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0067 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6264 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0577 0.0921
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0027 0.0043
Schistosoma mansoni smad 0.0008 0.0067 0.0067
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0069 0.0069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0999 0.1595
Echinococcus multilocularis Smad4 0.0008 0.0067 0.0067
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.7449 1
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6264 1
Brugia malayi hypothetical protein 0.0018 0.0313 0.05
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0576 0.4642
Brugia malayi MH2 domain containing protein 0.0008 0.0067 0.0107
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6264 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0999 0.0999
Loa Loa (eye worm) hypothetical protein 0.0018 0.0313 0.042
Loa Loa (eye worm) histone methyltransferase 0.001 0.0113 0.0151
Echinococcus granulosus Polycystic kidney disease protein 0.0018 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0031 0.0645 0.0866
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0107 0.254 0.4055
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4064 0.6488
Schistosoma mansoni ran 0.0021 0.0388 0.0388
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6264 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0574 0.0574
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0617 0.0617
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0999 0.0999
Onchocerca volvulus 0.0028 0.0577 0.0489
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0113 0.0113
Echinococcus multilocularis geminin 0.0166 0.404 0.404
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0067 0.0067
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.155 0.2474
Onchocerca volvulus 0.003 0.0617 0.0562
Schistosoma mansoni lipoxygenase 0.0075 0.1736 0.1736
Schistosoma mansoni hypothetical protein 0.0031 0.0645 0.0645
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.429 0.6848
Echinococcus multilocularis Polycystic kidney disease protein 0.0018 0.0313 0.0313
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.2329 0.3126
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0027 0.0043
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0442 0.0705
Echinococcus granulosus lipoxygenase domain containing protein 0.0018 0.0313 0.0313
Schistosoma mansoni hypothetical protein 0.0031 0.0645 0.0645
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0645 0.0645
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0442 0.0705

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

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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