Detailed information for compound 1386260

Basic information

Technical information
  • TDR Targets ID: 1386260
  • Name: (2E)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo- 1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
  • MW: 300.375 | Formula: C16H16N2O2S
  • H donors: 1 H acceptors: 3 LogP: 2.54 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\1/NC(=O)C(S1)Cc1ccc(c(c1)C)C)/C(=O)C
  • InChi: 1S/C16H16N2O2S/c1-9-4-5-12(6-10(9)2)7-14-15(20)18-16(21-14)13(8-17)11(3)19/h4-6,14H,7H2,1-3H3,(H,18,20)/b16-13+
  • InChiKey: WTLJJAYZTMBARP-DTQAZKPQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2E)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-thiazolidin-2-ylidene]-3-oxo-butanenitrile
  • (2E)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-2-thiazolidinylidene]-3-oxobutanenitrile
  • (2E)-2-[5-(3,4-dimethylbenzyl)-4-keto-thiazolidin-2-ylidene]-3-keto-butyronitrile
  • (2E)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-butanenitrile
  • SMR000147849
  • STOCK3S-54858
  • MLS000556532
  • 2-[5-(3,4-Dimethyl-benzyl)-4-oxo-thiazolidin-(2E)-ylidene]-3-oxo-butyronitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Escherichia coli O157:H7 Shiga toxin Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polypyrimidine tract binding protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax polypyrimidine tract binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Trypanosoma congolense polypyrimidine tract-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma japonicum Polypyrimidine tract-binding protein 1, putative Get druggable targets OG5_127719 All targets in OG5_127719
Trypanosoma brucei gambiense RNA-binding protein, putative,DRBD4 Get druggable targets OG5_127719 All targets in OG5_127719
Trypanosoma brucei gambiense RNA-binding protein, putative,DRBD4 Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania donovani polypyrimidine tract-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni polypyrimidine tract binding protein Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense Double RNA binding domain protein 3 Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei polypyrimidine tract-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi polypyrimidine tract-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Brugia malayi hypothetical protein Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni polypyrimidine tract binding protein Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania braziliensis RNA-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus granulosus Regulator of differentiation 1 Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania major RNA-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania donovani Double RNA binding domain protein 3 Get druggable targets OG5_127719 All targets in OG5_127719
Leishmania infantum RNA-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei Double RNA binding domain protein 3 Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Regulator of differentiation 1 Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii RNA recognition motif-containing protein Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii neural polypyrimidine tract binding protein Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma japonicum expressed protein Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi polypyrimidine tract-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei Double RNA-binding domain containing protein 4 Get druggable targets OG5_127719 All targets in OG5_127719
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127719 All targets in OG5_127719
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi Double RNA binding domain protein 3 Get druggable targets OG5_127719 All targets in OG5_127719
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni polypyrimidine tract binding protein Get druggable targets OG5_127719 All targets in OG5_127719
Neospora caninum GG11844, related Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Regulator of differentiation 1, putative Get druggable targets OG5_127719 All targets in OG5_127719
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum polypyrimidine tract-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana RNA-binding protein, putative Get druggable targets OG5_127719 All targets in OG5_127719
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis coatomer beta subunit, putative Shiga toxin   89 aa 87 aa 27.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus imidazolonepropionase Shiga toxin   89 aa 94 aa 25.5 %
Echinococcus multilocularis heterogeneous nuclear ribonucleoprotein l polypyrimidine tract binding protein 1 557 aa 517 aa 28.4 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Schistosoma japonicum Katanin p80 WD40-containing subunit B1, putative Shiga toxin   89 aa 72 aa 23.6 %
Echinococcus multilocularis imidazolonepropionase Shiga toxin   89 aa 94 aa 26.6 %
Schistosoma mansoni katanin P80 subunit Shiga toxin   89 aa 72 aa 23.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0708 0.0641
Loa Loa (eye worm) hypothetical protein 0.0011 0.0079 0.0006
Echinococcus multilocularis Regulator of differentiation 1 0.0015 0.0128 0.0081
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.018 0.0134
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0644 0.0575
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0464 0.0395
Leishmania major RNA-binding protein, putative 0.0011 0.0079 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0708 0.0641
Brugia malayi CXXC zinc finger family protein 0.0035 0.0381 0.0311
Schistosoma mansoni cpg binding protein 0.0037 0.0406 0.0406
Echinococcus multilocularis dUTP pyrophosphatase 0.0785 1 1
Trypanosoma brucei Double RNA-binding domain containing protein 4 0.0015 0.0128 1
Echinococcus granulosus GPCR family 2 0.0019 0.018 0.0134
Loa Loa (eye worm) dUTP diphosphatase 0.0785 1 1
Schistosoma mansoni polypyrimidine tract binding protein 0.0015 0.0128 0.0128
Entamoeba histolytica hypothetical protein 0.0512 0.6506 0.4682
Echinococcus multilocularis GPCR, family 2 0.0019 0.018 0.0134
Loa Loa (eye worm) hypothetical protein 0.0015 0.0128 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0644 0.0644
Schistosoma mansoni hypothetical protein 0.0205 0.256 0.256
Schistosoma mansoni polypyrimidine tract binding protein 0.0011 0.0079 0.0079
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0354 0.0282
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0074 0.0027
Loa Loa (eye worm) hypothetical protein 0.0041 0.0464 0.0393
Schistosoma mansoni hypothetical protein 0.0205 0.256 0.256
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0785 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0074 0.0027
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0138 0.0091
Loa Loa (eye worm) hypothetical protein 0.0033 0.0354 0.0282
Schistosoma mansoni intermediate filament proteins 0.0033 0.0354 0.0354
Onchocerca volvulus 0.0033 0.0354 0.91
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0273 0.343 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0354 0.0284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0644 0.0601
Loa Loa (eye worm) hypothetical protein 0.0015 0.013 0.0057
Trypanosoma cruzi polypyrimidine tract-binding protein, putative 0.0015 0.0128 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.018 0.0109
Onchocerca volvulus 0.0033 0.0354 0.91
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0354 0.0282
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0644 0.0601
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.018 0.0107
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Schistosoma mansoni polypyrimidine tract binding protein 0.0015 0.0128 0.0128
Brugia malayi Latrophilin receptor protein 2 0.0019 0.018 0.0109
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0779 0.0659
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0644 0.0644
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0785 1 1
Entamoeba histolytica hypothetical protein 0.0785 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0047 0.0047
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0785 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0785 1 1
Leishmania major hypothetical protein, conserved 0.0011 0.0079 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0644 0.0644
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Echinococcus granulosus dnaJ subfamily B 0.0494 0.6269 0.6252
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0785 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0785 1 1
Echinococcus multilocularis lamin 0.0033 0.0354 0.0309
Echinococcus granulosus lamin dm0 0.0033 0.0354 0.0309
Schistosoma mansoni lamin 0.0033 0.0354 0.0354
Schistosoma mansoni cpg binding protein 0.0035 0.0381 0.0381
Loa Loa (eye worm) hypothetical protein 0.0016 0.0138 0.0064
Loa Loa (eye worm) hypothetical protein 0.0015 0.0128 0.0054
Echinococcus granulosus intermediate filament protein 0.0033 0.0354 0.0309
Brugia malayi intermediate filament protein 0.0033 0.0354 0.0284
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0708 0.0639
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.6269 0.6252
Loa Loa (eye worm) hypothetical protein 0.0019 0.018 0.0107
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0273 0.343 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0079 0.0006
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0879 0.0879
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0644 0.0601
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0785 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0708 0.0639
Echinococcus granulosus dUTP pyrophosphatase 0.0785 1 1
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0785 1 1
Echinococcus multilocularis geminin 0.0205 0.256 0.2525
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0644 0.0601
Schistosoma mansoni hypothetical protein 0.0019 0.018 0.018
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.018 0.0134
Schistosoma mansoni lamin 0.0033 0.0354 0.0354
Echinococcus granulosus lamin 0.0033 0.0354 0.0309
Schistosoma mansoni cpg binding protein 0.0037 0.0406 0.0406
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0785 1 1
Echinococcus granulosus Regulator of differentiation 1 0.0015 0.0128 0.0081
Echinococcus multilocularis lamin dm0 0.0033 0.0354 0.0309
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0138 0.0091
Loa Loa (eye worm) hypothetical protein 0.0011 0.0079 0.0006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0644 0.0577
Brugia malayi hypothetical protein 0.0015 0.0128 0.0056
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.018 0.0134
Echinococcus granulosus geminin 0.0205 0.256 0.2525
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.016 0.0088
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0785 1 1
Entamoeba histolytica hypothetical protein 0.0785 1 1
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0273 0.343 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0346 0.0274
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0785 1 1
Entamoeba histolytica hypothetical protein 0.0512 0.6506 0.4682
Loa Loa (eye worm) hypothetical protein 0.0015 0.013 0.0057
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0273 0.343 0.5
Onchocerca volvulus 0.0035 0.0381 1
Schistosoma mansoni hypothetical protein 0.0494 0.6269 0.6269
Echinococcus granulosus cpg binding protein 0.0037 0.0406 0.0361
Echinococcus multilocularis cpg binding protein 0.0037 0.0406 0.0361
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0785 1 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.018 0.0134
Schistosoma mansoni hypothetical protein 0.0041 0.0464 0.0464
Echinococcus multilocularis musashi 0.0033 0.0354 0.0309
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.016 0.0087
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0381 0.0309
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0785 1 1
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0785 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0798 um PUBCHEM_BIOASSAY: A qHTS for Small Molecule Inhibitors of Shiga Toxin (Confirmatory). (Class of assay: confirmatory) [Related pubchem assays: 2314, 2318, 2315 ] ChEMBL. No reference
Potency (functional) 0.7308 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) 1.299 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment: Confirmation of PNC Inhibition. (Class of assay: confirmatory) [Related pubchem assays: 2431 (Summary assay), 2417 (Primary screen)] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: High Content Assay for Compounds that inhibit the Assembly of the Perinucleolar Compartment: PC3M Cytotoxicity. (Class of assay: confirmatory) [Related pubchem assays: 2431 (Summary assay), 2417 (Primary screen)] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 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) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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