Detailed information for compound 1345664

Basic information

Technical information
  • TDR Targets ID: 1345664
  • Name: (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo -1,3-thiazol-5-ylidene]methanolate
  • MW: 262.327 | Formula: C13H14N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1sc(=O)[n-]c1[n+]1ccc(cc1)C(C)(C)C
  • InChi: 1S/C13H14N2O2S/c1-13(2,3)9-4-6-15(7-5-9)11-10(8-16)18-12(17)14-11/h4-8H,1-3H3
  • InChiKey: ZBNSFRVBKKUTEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate
  • (E)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methanolate
  • (E)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate
  • (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate
  • [4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methanolate
  • (E)-[4-(4-tert-butyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methanolate
  • (Z)-[4-(4-tert-butyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methanolate
  • [4-(4-tert-butyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methanolate
  • (E)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-keto-thiazol-5-ylidene]methanolate
  • (Z)-[4-(4-tert-butylpyridin-1-ium-1-yl)-2-keto-thiazol-5-ylidene]methanolate
  • [4-(4-tert-butylpyridin-1-ium-1-yl)-2-keto-thiazol-5-ylidene]methanolate
  • MLS000595422
  • STOCK2S-94146
  • SMR000149936
  • ZINC00535382

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical 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
Brugia malayi Muscleblind-like 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) ImpB/MucB/SamB family protein 0.0023 0.0129 0.042
Echinococcus granulosus dna polymerase kappa 0.0023 0.0129 0.0129
Onchocerca volvulus 0.0035 0.0268 0.4351
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0375 0.1218
Loa Loa (eye worm) hypothetical protein 0.0043 0.0375 0.1218
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0375 0.0706
Echinococcus multilocularis musashi 0.0033 0.0242 0.0242
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0058 0.0188
Trichomonas vaginalis glycyl-tRNA synthetase, putative 0.003 0.0211 0.0302
Echinococcus multilocularis lamin dm0 0.0033 0.0242 0.0242
Echinococcus granulosus Developmentally regulated GTP binding protein 2 0.0028 0.0185 0.0185
Giardia lamblia DINP protein human, muc B family 0.0023 0.0129 0.01
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0242 0.0786
Echinococcus granulosus GPCR family 2 0.0018 0.0068 0.0068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0375 0.0793
Trichomonas vaginalis alanyl-tRNA synthetase, putative 0.0029 0.0196 0.0264
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0375 0.0793
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.005 0.0455 0.1477
Schistosoma mansoni developmentally regulated GTP-binding protein 2 (drg 2) 0.0028 0.0185 0.0185
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0235 0.2713 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0375 0.0375
Schistosoma mansoni threonyl-tRNA synthetase-related 0.0028 0.0185 0.0185
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.005 0.0455 0.0902
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Brugia malayi MH2 domain containing protein 0.0018 0.0064 0.0209
Plasmodium falciparum proline--tRNA ligase 0.005 0.0455 0.1603
Brugia malayi Muscleblind-like protein 0.018 0.2044 0.6634
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0207 0.2373 0.7236
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0129 0.033
Schistosoma mansoni hypothetical protein 0.0018 0.0068 0.0068
Brugia malayi Smad1 0.0018 0.0064 0.0209
Loa Loa (eye worm) MH2 domain-containing protein 0.0264 0.3058 0.9927
Echinococcus multilocularis seryl tRNA synthetase, mitochondrial 0.002 0.0089 0.0089
Giardia lamblia Alanyl-tRNA synthetase 0.0029 0.0196 0.0264
Loa Loa (eye worm) hypothetical protein 0.0043 0.0375 0.1218
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0064 0.0064
Entamoeba histolytica GTP-binding protein, putative 0.0028 0.0185 0.0238
Loa Loa (eye worm) hypothetical protein 0.0043 0.0375 0.1218
Loa Loa (eye worm) hypothetical protein 0.0016 0.0037 0.012
Onchocerca volvulus 0.0043 0.0375 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0064 0.0064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0068 0.0068
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.005 0.0455 0.0399
Loa Loa (eye worm) Smad1 0.0018 0.0064 0.0209
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0817 0.2774
Trypanosoma brucei histidyl-tRNA synthetase 0.003 0.0211 0.0637
Leishmania major DNA polymerase eta, putative 0.0023 0.0129 0.0155
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0207 0.2373 1
Brugia malayi Developmentally regulated GTP-binding protein 1, putative 0.0028 0.0185 0.0602
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0064 0.0209
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5864 0.5864
Echinococcus granulosus Seryl tRNA Synthetase 0.002 0.0089 0.0089
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0068 0.0068
Echinococcus granulosus prolyl tRNA synthetase mitochondrial 0.002 0.0089 0.0089
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0375 0.1091
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.005 0.0455 0.1548
Schistosoma mansoni hypothetical protein 0.0018 0.0068 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.005 0.0455 0.1395
Loa Loa (eye worm) hypothetical protein 0.0075 0.0756 0.2456
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.005 0.0455 0.1395
Treponema pallidum glycyl-tRNA synthetase 0.003 0.0211 0.0302
Treponema pallidum threonyl-tRNA synthetase 0.0207 0.2373 0.563
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0375 0.0793
Echinococcus multilocularis Seryl tRNA Synthetase 0.002 0.0089 0.0089
Plasmodium vivax unspecified product 0.0028 0.0185 0.0423
Loa Loa (eye worm) hypothetical protein 0.018 0.2044 0.6634
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Leishmania major DNA polymerase kappa, putative 0.0023 0.0129 0.0155
Brugia malayi Hypothetical GTP-binding protein C02F5.3 in chromosome III 0.0028 0.0185 0.0602
Chlamydia trachomatis histidine--tRNA ligase 0.003 0.0211 0.0467
Giardia lamblia Developmentally regulated GTP-binding protein 1 0.0028 0.0185 0.0238
Schistosoma mansoni mitochondrial 39S ribosomal protein L39 0.0028 0.0185 0.0185
Loa Loa (eye worm) histidyl-tRNA synthetase 0.003 0.0211 0.0687
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0129 0.0129
Trichomonas vaginalis GTP-binding protein, putative 0.0028 0.0185 0.0238
Leishmania major histidyl-tRNA synthetase, putative 0.003 0.0211 0.0467
Leishmania major developmentally regulated GTP-binding protein 1, putative 0.0028 0.0185 0.0368
Brugia malayi MH2 domain containing protein 0.0018 0.0064 0.0209
Echinococcus multilocularis Smad4 0.0018 0.0064 0.0064
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0129 0.01
Trypanosoma cruzi histidyl-tRNA synthetase 0.003 0.0211 0.0467
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0235 0.2713 0.2713
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0375 0.1254
Trichomonas vaginalis developmentally regulated GTP-binding protein, putative 0.0028 0.0185 0.0238
Echinococcus granulosus seryl tRNA synthetase mitochondrial 0.002 0.0089 0.0089
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0235 0.2713 0.8807
Loa Loa (eye worm) alanyl-tRNA synthetase 0.0029 0.0196 0.0636
Echinococcus granulosus smad 0.0018 0.0064 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0375 0.0793
Leishmania major glycyl tRNA synthetase, putative 0.003 0.0211 0.0467
Treponema pallidum prolyl-tRNA synthetase 0.005 0.0455 0.0902
Loa Loa (eye worm) hypothetical protein 0.0018 0.0068 0.0221
Loa Loa (eye worm) hypothetical protein 0.0043 0.0375 0.1218
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0064 0.0064
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.323 1
Echinococcus multilocularis histidyl tRNA synthetase 0.003 0.0211 0.0211
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.1946 0.7864
Plasmodium falciparum alanine--tRNA ligase 0.0029 0.0196 0.0469
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0129 0.0129
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0375 0.0706
Mycobacterium ulcerans lipase LipD 0.0043 0.0375 0.1254
Plasmodium falciparum GTP-binding protein, putative 0.0028 0.0185 0.0423
Echinococcus granulosus Smad4 0.0018 0.0064 0.0064
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0032 0.0235 0.0763
Trichomonas vaginalis interferon-induced, double-stranded RNA-activated protein kinase, putative 0.003 0.0211 0.0302
Schistosoma mansoni smad1 5 8 and 0.0018 0.0064 0.0064
Trypanosoma brucei developmentally regulated GTP-binding protein, putative 0.0028 0.0185 0.054
Plasmodium vivax proline--tRNA ligase, putative 0.005 0.0455 0.1603
Schistosoma mansoni seryl-tRNA synthetase 0.002 0.0089 0.0089
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0817 0.2774
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0235 0.2713 1
Schistosoma mansoni gabp alpha 0.0087 0.0911 0.0911
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0268 0.087
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Trypanosoma cruzi alanyl-tRNA synthetase, putative 0.0029 0.0196 0.0408
Schistosoma mansoni smad 0.0018 0.0064 0.0064
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4146 1
Schistosoma mansoni hypothetical protein 0.0018 0.0068 0.0068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0375 0.0375
Brugia malayi Alanyl-tRNA synthetase 0.0029 0.0196 0.0636
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0375 0.1091
Mycobacterium ulcerans histidyl-tRNA synthetase 0.003 0.0211 0.0537
Echinococcus granulosus dna polymerase eta 0.0023 0.0129 0.0129
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0196 0.0264
Echinococcus granulosus histidyl tRNA synthetase 0.003 0.0211 0.0211
Loa Loa (eye worm) transcription factor SMAD2 0.0264 0.3058 0.9927
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5864 0.5864
Leishmania major GTP-binding protein, putative 0.0028 0.0185 0.0368
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0375 0.125
Schistosoma mansoni hypothetical protein 0.0494 0.5864 0.5864
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0129 0.042
Schistosoma mansoni DNA polymerase eta 0.0023 0.0129 0.0129
Schistosoma mansoni lamin 0.0033 0.0242 0.0242
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0408 0.0408
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0207 0.2373 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.005 0.0455 0.0455
Leishmania major threonyl-tRNA synthetase, putative 0.0235 0.2713 1
Echinococcus multilocularis developmentally regulated gtp binding protein 1 0.0028 0.0185 0.0185
Schistosoma mansoni threonyl-tRNA synthetase 0.0187 0.213 0.213
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0129 0.042
Loa Loa (eye worm) glycyl-tRNA synthetase 0.005 0.0455 0.1477
Loa Loa (eye worm) fli-1 protein 0.0265 0.3081 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.2044 0.2044
Plasmodium vivax glycine--tRNA ligase, putative 0.005 0.0455 0.1603
Entamoeba histolytica GTP-binding protein, putative 0.0028 0.0185 0.0238
Schistosoma mansoni prolyl-tRNA synthetase 0.002 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0033 0.0242 0.0786
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0817 0.0817
Schistosoma mansoni intermediate filament proteins 0.0033 0.0242 0.0242
Brugia malayi beta-lactamase family protein 0.0043 0.0375 0.1218
Giardia lamblia Glycyl-tRNA synthetase 0.005 0.0455 0.0902
Echinococcus multilocularis dna polymerase eta 0.0023 0.0129 0.0129
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0129 0.0129
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0375 0.0706
Echinococcus multilocularis glycyl tRNA synthetase 0.005 0.0455 0.0455
Schistosoma mansoni glycyl-tRNA synthetase 0.005 0.0455 0.0455
Loa Loa (eye worm) developmentally regulated GTP-binding protein 1 0.0028 0.0185 0.0602
Loa Loa (eye worm) hypothetical protein 0.0023 0.0129 0.042
Schistosoma mansoni cpg binding protein 0.0037 0.0292 0.0292
Mycobacterium ulcerans hypothetical protein 0.0043 0.0375 0.1254
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Loa Loa (eye worm) hypothetical protein 0.0039 0.0327 0.106
Trypanosoma cruzi ribosome-interacting GTPase 2, putative 0.0028 0.0185 0.0368
Schistosoma mansoni smad1 5 8 and 0.0018 0.0064 0.0064
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0207 0.2373 1
Toxoplasma gondii GTP-binding protein 0.0028 0.0185 0.0423
Echinococcus multilocularis muscleblind protein 0.018 0.2044 0.2044
Onchocerca volvulus 0.0033 0.0242 0.2992
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.005 0.0455 0.0902
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Echinococcus granulosus cpg binding protein 0.0037 0.0292 0.0292
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0129 0.01
Brugia malayi Fli-1 protein 0.0265 0.3081 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0455 0.1477
Plasmodium falciparum glycine--tRNA ligase 0.003 0.0211 0.0537
Echinococcus granulosus lamin 0.0033 0.0242 0.0242
Echinococcus multilocularis prolyl tRNA synthetase, mitochondrial 0.002 0.0089 0.0089
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0058 0.0188
Mycobacterium ulcerans glycyl-tRNA synthetase 0.005 0.0455 0.1603
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0817 0.2774
Trypanosoma cruzi tRNA synthetases class II (A)/Threonyl and Alanyl tRNA synthetase second additional domain containing protein, putative 0.0029 0.0196 0.0408
Plasmodium vivax alanine--tRNA ligase, putative 0.0029 0.0196 0.0469
Echinococcus multilocularis alanyl tRNA synthetase, mitochondrial 0.0029 0.0196 0.0196
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0129 0.0155
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0375 0.0793
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.005 0.0455 0.1395
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0549 0.1783
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.003 0.0211 0.0467
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0129 0.0155
Brugia malayi MH1 domain containing protein 0.0018 0.0064 0.0209
Brugia malayi probable proline-trna synthetase - fission yeast, putative 0.005 0.0455 0.1477
Loa Loa (eye worm) hypothetical protein 0.0028 0.0185 0.0602
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0375 0.1254
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0129 0.033
Loa Loa (eye worm) hypothetical protein 0.0015 0.003 0.0096
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0817 0.2903
Onchocerca volvulus 0.0043 0.0375 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4146 1
Brugia malayi beta-lactamase 0.0043 0.0375 0.1218
Schistosoma mansoni histidyl-tRNA synthetase 0.003 0.0211 0.0211
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0207 0.2373 0.563
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0207 0.2373 1
Echinococcus multilocularis Developmentally regulated GTP binding protein 2 0.0028 0.0185 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Trypanosoma cruzi tRNA synthetases class II (A)/Threonyl and Alanyl tRNA synthetase second additional domain containing protein, putative 0.0029 0.0196 0.0408
Schistosoma mansoni developmentally regulated GTP-binding protein 1 (drg 1) 0.0028 0.0185 0.0185
Echinococcus multilocularis GPCR, family 2 0.0018 0.0068 0.0068
Brugia malayi CXXC zinc finger family protein 0.0035 0.0268 0.087
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.005 0.0455 0.1603
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.018 0.2044 0.6634
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.005 0.0455 0.1477
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.005 0.0455 0.1395
Toxoplasma gondii histidyl-tRNA synthetase (HisRS), putative 0.003 0.0211 0.0537
Mycobacterium ulcerans beta-lactamase 0.0043 0.0375 0.1254
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Brugia malayi seryl-tRNA synthetase, mitochondrial precursor, putative 0.002 0.0089 0.0288
Trypanosoma cruzi alanyl-tRNA synthetase, putative 0.0029 0.0196 0.0408
Brugia malayi MH2 domain containing protein 0.0264 0.3058 0.9927
Plasmodium vivax GTP-binding protein, putative 0.0028 0.0185 0.0423
Onchocerca volvulus 0.0043 0.0375 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0817 0.2651
Loa Loa (eye worm) hypothetical protein 0.0015 0.003 0.0096
Loa Loa (eye worm) hypothetical protein 0.0043 0.0375 0.1218
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0911 0.0911
Mycobacterium tuberculosis Conserved protein 0.0043 0.0375 0.0793
Echinococcus granulosus alanyl tRNA synthetase mitochondrial 0.0029 0.0196 0.0196
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4146 1
Echinococcus granulosus lamin dm0 0.0033 0.0242 0.0242
Mycobacterium tuberculosis Conserved protein 0.0043 0.0375 0.0793
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.005 0.0455 0.0455
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0129 0.01
Schistosoma mansoni threonyl-tRNA synthetase 0.002 0.0089 0.0089
Trypanosoma brucei unspecified product 0.0023 0.0129 0.033
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0129 0.0178
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0375 0.1254
Mycobacterium ulcerans alanyl-tRNA synthetase 0.0029 0.0196 0.0469
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0911 0.2957
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0064 0.0064
Schistosoma mansoni Smad4 0.0018 0.0064 0.0064
Onchocerca volvulus 0.0033 0.0242 0.2992
Echinococcus multilocularis cpg binding protein 0.0037 0.0292 0.0292
Trypanosoma brucei seryl-tRNA synthetase 0.002 0.0089 0.0178
Brugia malayi alanyl-tRNA synthetase family protein 0.0029 0.0196 0.0636
Brugia malayi intermediate filament protein 0.0033 0.0242 0.0786
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Chlamydia trachomatis alanine--tRNA ligase 0.0029 0.0196 0.0408
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0817 0.1794
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0129 0.033
Echinococcus multilocularis 39S ribosomal protein L39, mitochondrial 0.0028 0.0185 0.0185
Echinococcus granulosus alanyl tRNA synthetase cytoplasmic 0.0029 0.0196 0.0196
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0064 0.0209
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0375 0.0793
Treponema pallidum alanyl-tRNA synthetase 0.0029 0.0196 0.0264
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0242 0.0786
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Toxoplasma gondii anticodon binding domain-containing protein 0.003 0.0211 0.0537
Plasmodium vivax developmentally regulated GTP-binding protein 1, putative 0.0028 0.0185 0.0423
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0646 0.2439
Echinococcus granulosus glycyl tRNA synthetase 0.005 0.0455 0.0455
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0039 0.0327 0.0327
Echinococcus granulosus muscleblind protein 0.018 0.2044 0.2044
Brugia malayi beta-lactamase family protein 0.0043 0.0375 0.1218
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0235 0.2713 0.8807
Giardia lamblia Prolyl-tRNA synthetase 0.005 0.0455 0.0902
Schistosoma mansoni seryl-tRNA synthetase 0.002 0.0089 0.0089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0068 0.0068
Plasmodium falciparum histidine--tRNA ligase, putative 0.003 0.0211 0.0537
Brugia malayi Sars1 protein 0.002 0.0089 0.0288
Brugia malayi Ets-domain containing protein 0.0087 0.0911 0.2957
Trypanosoma brucei glycyl-tRNA synthetase, putative 0.005 0.0455 0.1548
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0549 0.1783
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0129 0.0129
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4146 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0068 0.0221
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0129 0.0155
Chlamydia trachomatis threonine--tRNA ligase 0.0235 0.2713 1
Schistosoma mansoni lamin 0.0033 0.0242 0.0242
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0129 0.033
Trypanosoma brucei ribosome-interacting GTPase 2, putative 0.0028 0.0185 0.054
Entamoeba histolytica alanyl-tRNA synthetase, putative 0.0029 0.0196 0.0264
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0064 0.0064
Schistosoma mansoni developmentally regulated GTP-binding protein 1 (drg 1) 0.0028 0.0185 0.0185
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0129 0.0155
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0817 0.2651
Trypanosoma cruzi developmentally regulated GTP-binding protein, putative 0.0028 0.0185 0.0368
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0068 0.0068
Wolbachia endosymbiont of Brugia malayi alanyl-tRNA synthetase 0.0029 0.0196 0.0469
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.005 0.0455 0.1477
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0068 0.0221
Brugia malayi glycyl-tRNA synthetase 0.005 0.0455 0.1477
Loa Loa (eye worm) alanyl-tRNA synthetase 0.0029 0.0196 0.0636
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0068 0.0221
Trypanosoma brucei alanyl-tRNA synthetase, putative 0.0029 0.0196 0.0579
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0375 0.0706
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0129 0.033
Leishmania major hypothetical protein, conserved 0.0043 0.0375 0.1091
Loa Loa (eye worm) hypothetical protein 0.0058 0.0549 0.1783
Wolbachia endosymbiont of Brugia malayi prolyl-tRNA synthetase 0.005 0.0455 0.1603
Plasmodium vivax histidine--tRNA ligase, putative 0.003 0.0211 0.0537
Plasmodium falciparum ribosome-interacting GTPase 1, putative 0.0028 0.0185 0.0423
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0817 0.0817
Entamoeba histolytica glycyl-tRNA synthetase, putative 0.005 0.0455 0.0902
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0742 0.0742
Plasmodium falciparum threonine--tRNA ligase 0.0207 0.2373 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0242 0.0786
Echinococcus granulosus 39S ribosomal protein L39 mitochondrial 0.0028 0.0185 0.0185
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0207 0.2373 0.563
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.1946 0.586
Plasmodium vivax threonine--tRNA ligase, putative 0.0207 0.2373 1
Wolbachia endosymbiont of Brugia malayi histidyl-tRNA synthetase 0.003 0.0211 0.0537
Chlamydia trachomatis proline--tRNA ligase 0.005 0.0455 0.1395
Toxoplasma gondii cytosolic tRNA-Ala synthetase 0.0029 0.0196 0.0469
Schistosoma mansoni alanyl-tRNA synthetase 0.0029 0.0196 0.0196
Giardia lamblia Developmentally regulated GTP-binding protein 1 0.0028 0.0185 0.0238
Brugia malayi MH1 domain containing protein 0.0018 0.0064 0.0209
Trichomonas vaginalis esterase, putative 0.0043 0.0375 0.0706
Schistosoma mansoni cpg binding protein 0.0037 0.0292 0.0292
Loa Loa (eye worm) seryl-tRNA synthetase 0.002 0.0089 0.0288
Toxoplasma gondii glycyl-tRNA synthetase 0.005 0.0455 0.1603
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4146 1
Echinococcus granulosus Threonyl tRNA synthetase C 0.0235 0.2713 0.2713
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.1946 0.8132
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.005 0.0455 0.0455
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0817 0.0817
Echinococcus multilocularis smad 0.0018 0.0064 0.0064
Mycobacterium ulcerans prolyl-tRNA synthetase 0.005 0.0455 0.1603
Giardia lamblia Threonyl-tRNA synthetase 0.0207 0.2373 0.563
Echinococcus granulosus developmentally regulated gtp binding protein 1 0.0028 0.0185 0.0185
Schistosoma mansoni histidyl-tRNA synthetase 0.003 0.0211 0.0211
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0375 0.0375
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0375 0.0706
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0129 0.0155
Trypanosoma brucei tRNA synthetases class II (A)/Threonyl and Alanyl tRNA synthetase second additional domain containing protein, putative 0.0029 0.0196 0.0579
Echinococcus multilocularis lamin 0.0033 0.0242 0.0242
Leishmania major alanyl-tRNA synthetase, putative 0.0029 0.0196 0.0408
Echinococcus granulosus intermediate filament protein 0.0033 0.0242 0.0242
Schistosoma mansoni cpg binding protein 0.0035 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.005 0.0455 0.1477
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0549 0.1783
Giardia lamblia Metal-dependent hydrolase related to alanyl-tRNA synthetase 0.0029 0.0196 0.0264
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) Sars1 protein 0.002 0.0089 0.0288
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0129 0.0129
Schistosoma mansoni hypothetical protein 0.0018 0.0068 0.0068
Mycobacterium ulcerans GTP pyrophosphokinase RelA 0.0028 0.0185 0.0423
Mycobacterium tuberculosis Conserved protein 0.0043 0.0375 0.0793
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0129 0.0178
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0375 0.0793
Toxoplasma gondii ABC1 family protein 0.0043 0.0375 0.1254
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0327 0.106
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0375 0.1218
Plasmodium vivax unspecified product 0.0028 0.0185 0.0423
Toxoplasma gondii GTP-binding protein, putative 0.0028 0.0185 0.0423
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0375 0.0375
Entamoeba histolytica histidyl-tRNA synthetase, putative 0.003 0.0211 0.0302
Loa Loa (eye worm) hypothetical protein 0.0043 0.0375 0.1218
Loa Loa (eye worm) beta-lactamase 0.0043 0.0375 0.1218
Schistosoma mansoni ets-related 0.0265 0.3081 0.3081
Brugia malayi Ets-domain containing protein 0.0087 0.0911 0.2957
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.005 0.0455 0.0455
Echinococcus multilocularis alanyl tRNA synthetase, cytoplasmic 0.0029 0.0196 0.0196
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0235 0.2713 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0129 0.0155
Schistosoma mansoni smad1 5 8 and 0.0018 0.0064 0.0064
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.003 0.0211 0.0467

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.2213 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) 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 (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) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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