Detailed information for compound 1330135

Basic information

Technical information
  • TDR Targets ID: 1330135
  • Name: N-(2,4-dimethoxyphenyl)-2-[1,1-dioxo-5-(pheny lmethyl)-1,2,5-thiadiazolidin-2-yl]acetamide
  • MW: 405.468 | Formula: C19H23N3O5S
  • H donors: 1 H acceptors: 3 LogP: 1.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)CN1CCN(S1(=O)=O)Cc1ccccc1
  • InChi: 1S/C19H23N3O5S/c1-26-16-8-9-17(18(12-16)27-2)20-19(23)14-22-11-10-21(28(22,24)25)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,23)
  • InChiKey: ZUWRKSWQODFDSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[5-(benzyl)-1,1-diketo-1,2,5-thiadiazolidin-2-yl]-N-(2,4-dimethoxyphenyl)acetamide
  • N-(2,4-dimethoxyphenyl)-2-[1,1-dioxo-5-(phenylmethyl)-1,2,5-thiadiazolidin-2-yl]ethanamide
  • G364-1879
  • NCGC00130635-01

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
Plasmodium vivax pyruvate kinase, putative 0.0037 0.1023 0.8599
Brugia malayi Pre-SET motif family protein 0.0228 0.8732 0.9287
Brugia malayi Pyruvate kinase, M2 isozyme 0.0037 0.1023 0.0875
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.1023 0.8664
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1002
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.114 0.0166
Mycobacterium ulcerans hypothetical protein 0.004 0.114 0.7397
Entamoeba histolytica hypothetical protein 0.0078 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1002
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.1181 0.3925
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.114 0.0149
Schistosoma mansoni hypothetical protein 0.0036 0.0999 0.3179
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.0578 0.0389
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.1023 0.0169
Schistosoma mansoni inositol monophosphatase 0.0041 0.1181 0.3925
Brugia malayi Cytochrome P450 family protein 0.0025 0.055 0.0358
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1668 0.1579
Toxoplasma gondii pyruvate kinase PyKII 0.0019 0.0307 0.2601
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.114 0.0149
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1002
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0991 0.8387
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.082 0.2449
Brugia malayi beta-lactamase family protein 0.004 0.114 0.1002
Toxoplasma gondii pyruvate kinase PyK1 0.0037 0.1023 0.8664
Mycobacterium tuberculosis Conserved protein 0.004 0.114 0.0149
Echinococcus granulosus expressed protein 0.0037 0.1025 0.3287
Loa Loa (eye worm) beta-lactamase 0.004 0.114 0.1002
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.114 0.0149
Schistosoma mansoni pyruvate kinase 0.0019 0.0307 0.035
Trichomonas vaginalis rotamase, putative 0.0037 0.1025 0.0039
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.1181 1
Schistosoma mansoni pyruvate kinase 0.0037 0.1023 0.328
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.114 0.9652
Loa Loa (eye worm) pyruvate kinase 0.0037 0.1023 0.0875
Brugia malayi beta-lactamase family protein 0.004 0.114 0.1002
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1668 0.1579
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.2666 1
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0869 0.2647
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.157 0.1471
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.1181 0.3925
Entamoeba histolytica hypothetical protein 0.0078 0.2666 1
Chlamydia trachomatis pyruvate kinase 0.0037 0.1023 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.1181 0.0212
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0869 0.2647
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.157 0.5514
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.114 0.3757
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0869 0.2647
Loa Loa (eye worm) pyruvate kinase 0.0037 0.1023 0.0875
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.114 0.1002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.114 0.1002
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.9698 1
Echinococcus multilocularis pyruvate kinase 0.0019 0.0307 0.035
Mycobacterium leprae Probable pyruvate kinase PykA 0.0037 0.1023 0.0999
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.1023 0.0169
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0869 0.7355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.157 0.5514
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.0991 0.8387
Trichomonas vaginalis set domain proteins, putative 0.026 1 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.1025 0.0877
Echinococcus multilocularis pyruvate kinase 0.0037 0.1023 0.328
Loa Loa (eye worm) pyruvate kinase 0.0037 0.1023 0.0875
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.114 0.3757
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.1023 0.8664
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0245 0.9385 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0999 0.0848
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.1023 0.0036
Mycobacterium ulcerans beta-lactamase 0.004 0.114 0.7397
Echinococcus granulosus pyruvate kinase 0.0019 0.0307 0.035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.114 0.3757
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.1023 0.0036
Schistosoma mansoni hypothetical protein 0.0078 0.2666 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.2666 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1181 1
Mycobacterium leprae Probable lipase LipE 0.004 0.114 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.157 0.5514
Leishmania major pyruvate kinase 0.0037 0.1023 0.8664
Plasmodium vivax SET domain protein, putative 0.0033 0.0869 0.6742
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1002
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1025 0.0039
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.114 0.3757
Mycobacterium tuberculosis Conserved protein 0.004 0.114 0.0149
Loa Loa (eye worm) hypothetical protein 0.0026 0.0578 0.0389
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.114 0.0149
Plasmodium falciparum pyruvate kinase 0.0037 0.1023 1
Echinococcus multilocularis expressed protein 0.0037 0.1025 0.3287
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.157 0.1471
Plasmodium vivax hypothetical protein, conserved 0.004 0.114 1
Echinococcus granulosus pyruvate kinase 0.0037 0.1023 0.328
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.1181 0.2888
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.114 0.7397
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0991 0.8387
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.1023 0.0169
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.114 0.0166
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.114 0.0149
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0037 0.1023 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.157 0.5514
Brugia malayi Pre-SET motif family protein 0.0033 0.0869 0.0706
Trichomonas vaginalis esterase, putative 0.004 0.114 0.0166
Schistosoma mansoni pyruvate kinase 0.0037 0.1023 0.328
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0869 0.2647
Brugia malayi hypothetical protein 0.0078 0.2666 0.2668
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.2666 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.055 0.0358
Echinococcus multilocularis pyruvate kinase 0.0029 0.0713 0.2012
Brugia malayi follicle stimulating hormone receptor 0.0245 0.9385 1
Echinococcus granulosus pyruvate kinase 0.0019 0.0307 0.035
Mycobacterium tuberculosis Conserved protein 0.004 0.114 0.0149
Trypanosoma brucei hypothetical protein, conserved 0.004 0.114 0.9652
Schistosoma mansoni inositol monophosphatase 0.0041 0.1181 0.3925
Leishmania major hypothetical protein, conserved 0.004 0.114 0.9652
Giardia lamblia Pyruvate kinase 0.0037 0.1023 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.157 0.5514
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.1181 0.0212
Onchocerca volvulus 0.004 0.114 0.0297
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0869 0.2647
Onchocerca volvulus 0.004 0.114 0.0297
Mycobacterium tuberculosis Probable hydrolase 0.004 0.114 0.0149
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0991 0.1975
Echinococcus multilocularis pyruvate kinase 0.0037 0.1023 0.328
Entamoeba histolytica hypothetical protein 0.0078 0.2666 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0869 0.2647
Brugia malayi Inositol-1 0.0041 0.1181 0.1047
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.114 0.0166
Echinococcus multilocularis pyruvate kinase 0.0019 0.0307 0.035
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1181 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.114 0.0166
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.114 0.9652
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0991 0.8387
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.114 0.0149
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1002
Loa Loa (eye worm) hypothetical protein 0.0037 0.1023 0.0875
Loa Loa (eye worm) hypothetical protein 0.0053 0.1668 0.1579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1668 0.1579
Brugia malayi Pyruvate kinase, muscle isozyme 0.0037 0.1023 0.0875
Loa Loa (eye worm) hypothetical protein 0.0033 0.0869 0.0706
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.1181 1
Echinococcus multilocularis pyruvate kinase 0.0019 0.0307 0.035
Mycobacterium leprae conserved hypothetical protein 0.004 0.114 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0037 0.1023 0.8664
Entamoeba histolytica hypothetical protein 0.0078 0.2666 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1181 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.114 0.0166
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.1181 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.157 0.5514
Onchocerca volvulus 0.004 0.114 0.0297
Echinococcus granulosus pyruvate kinase 0.0037 0.1023 0.328
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.1025 0.0877
Brugia malayi beta-lactamase 0.004 0.114 0.1002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.157 0.5514
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0869 0.2647
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.8732 0.9287
Echinococcus granulosus pyruvate kinase 0.0019 0.0307 0.035
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.114 0.7397
Loa Loa (eye worm) hypothetical protein 0.0036 0.0999 0.0848
Trypanosoma brucei pyruvate kinase 1 0.0037 0.1023 0.8664
Mycobacterium ulcerans lipase LipD 0.004 0.114 0.7397
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0991 0.8387
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.1181 0.0212
Schistosoma mansoni rotamase 0.0037 0.1025 0.3287
Toxoplasma gondii ABC1 family protein 0.004 0.114 0.9652
Loa Loa (eye worm) inositol-1 0.0041 0.1181 0.1047
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1181 1
Leishmania major pyruvate kinase 0.0037 0.1023 0.8664

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 50.1187 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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