Detailed information for compound 1574394

Basic information

Technical information
  • TDR Targets ID: 1574394
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-thie no[3,2-e]pyrimidin-4-ylsulfanylacetamide
  • MW: 387.476 | Formula: C18H17N3O3S2
  • H donors: 0 H acceptors: 3 LogP: 3.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)CSc1ncnc2c1ccs2)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C18H17N3O3S2/c1-2-21(8-12-3-4-14-15(7-12)24-11-23-14)16(22)9-26-18-13-5-6-25-17(13)19-10-20-18/h3-7,10H,2,8-9,11H2,1H3
  • InChiKey: MMLVHNDZDKEXNK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-thieno[3,2-e]pyrimidin-4-ylsulfanyl-acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-thieno[3,2-e]pyrimidinylthio)acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(thieno[3,2-e]pyrimidin-4-ylthio)acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-thieno[3,2-e]pyrimidin-4-ylsulfanyl-ethanamide
  • ZINC07329396
  • T5604682

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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0495 0.0481
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0109 0.0755 0.3993
Brugia malayi 6-phosphofructokinase 0.0109 0.0755 0.4139
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0178 0.0278
Plasmodium vivax thymidylate kinase, putative 0.0223 0.1659 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0017 0.0017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0178 0.0278
Brugia malayi hypothetical protein 0.0037 0.0178 0.0915
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0017 0.0005
Mycobacterium tuberculosis Conserved protein 0.0037 0.0178 0.0943
Mycobacterium tuberculosis Conserved protein 0.0037 0.0178 0.0943
Trichomonas vaginalis thymidine kinase, putative 0.0745 0.5809 1
Schistosoma mansoni thymidylate kinase 0.0223 0.1659 0.1647
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0087 0.0582 0.0979
Brugia malayi hypothetical protein 0.002 0.0046 0.0179
Trichomonas vaginalis thymidine kinase, putative 0.0745 0.5809 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0325 0.0483
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0325 0.0483
Schistosoma mansoni hypothetical protein 0.002 0.0046 0.0032
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0186 0.1027
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0091 0.0464
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0096 0.0127
Plasmodium vivax glutathione reductase, putative 0.0048 0.0264 0.1585
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0121 0.0179
Loa Loa (eye worm) hypothetical protein 0.0055 0.032 0.1711
Schistosoma mansoni hypothetical protein 0.0035 0.0162 0.0149
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0186 0.0266
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0066 0.0411 0.2398
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0186 0.0296
Echinococcus granulosus tar DNA binding protein 0.0076 0.0495 0.1847
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0014 0.0086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0325 0.0312
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0057 0.0238
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0189 0.1063
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0495 0.0745
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.048 0.0804
Mycobacterium ulcerans hypothetical protein 0.0037 0.0178 0.0981
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0178 0.1066
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.0748 0.4224
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Brugia malayi RNase H family protein 0.0066 0.0411 0.2215
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0121 0.0648
Mycobacterium ulcerans 6-phosphofructokinase 0.0109 0.0755 0.4495
Treponema pallidum thymidylate kinase (tmk) 0.0223 0.1659 1
Toxoplasma gondii thymidylate kinase 0.0223 0.1659 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0264 0.1438
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0017 0.0005
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.0845 0.4778
Toxoplasma gondii exonuclease III APE 0.0038 0.0189 0.1139
Trypanosoma cruzi thymidine kinase, putative 0.0745 0.5809 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0186 0.0296
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.0748 0.4224
Schistosoma mansoni thymidylate kinase 0.0223 0.1659 0.1647
Plasmodium falciparum thioredoxin reductase 0.0016 0.0017 0.0017
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.0755 0.1274
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0189 0.0673
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0189 0.0302
Schistosoma mansoni lamin 0.0055 0.032 0.0307
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0178 0.0917
Echinococcus multilocularis thymidine kinase 0.0248 0.1862 0.2865
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0014 0.0001
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0119 0.0585
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0036 0.0132
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.0755 0.4139
Echinococcus multilocularis RUN 0.002 0.0046 0.005
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0017 0.0094
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0021 0.0007
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0178 0.0981
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.1804 0.6882
Echinococcus multilocularis lamin dm0 0.0055 0.032 0.0475
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0178 0.0164
Entamoeba histolytica hypothetical protein 0.0037 0.0178 0.01
Echinococcus granulosus RUN 0.002 0.0046 0.0123
Trichomonas vaginalis esterase, putative 0.0037 0.0178 0.0278
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0186 0.0296
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0091 0.0464
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0248 0.1862 0.7103
Leishmania major ribonuclease H1, putative 0.0066 0.0411 0.0684
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0121 0.0179
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0495 0.2684
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0189 0.1047
Schistosoma mansoni hypothetical protein 0.0343 0.2615 0.2605
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0325 0.1197
Chlamydia trachomatis thymidylate kinase 0.0223 0.1659 1
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.0755 0.0742
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0057 0.0068
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0121 0.0632
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0121 0.0179
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0046 0.0123
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.0755 0.1274
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0091 0.0538
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.0748 0.4224
Loa Loa (eye worm) RNA binding protein 0.0076 0.0495 0.2684
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0178 0.0981
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0121 0.0632
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0121 0.0721
Schistosoma mansoni polycystin 1-related 0.002 0.0046 0.0032
Brugia malayi hypothetical protein 0.0017 0.0018 0.0023
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0091 0.0132
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0017 0.0017
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0014 0.0001
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0917
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0186 0.0291
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0411 0.0684
Onchocerca volvulus 0.0055 0.032 0.1702
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.032 0.1711
Brugia malayi beta-lactamase family protein 0.0037 0.0178 0.0917
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0334 0.0496
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0017 0.0005
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0189 0.1006
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.0845 0.4778
Brugia malayi beta-lactamase 0.0037 0.0178 0.0917
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0091 0.0132
Loa Loa (eye worm) intermediate filament protein 0.0055 0.032 0.1711
Leishmania major trypanothione reductase 0.0048 0.0264 0.0431
Trichomonas vaginalis thymidylate kinase, putative 0.0223 0.1659 0.2834
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0091 0.0132
Entamoeba histolytica hypothetical protein 0.0037 0.0178 0.01
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0223 0.1659 0.9462
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0178 0.0917
Toxoplasma gondii ribonuclease HI protein 0.0066 0.0411 0.2476
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0046 0.0123
Trypanosoma brucei ingi protein (ORF1) 0.0075 0.048 0.0804
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0017 0.0094
Schistosoma mansoni phosphoglucomutase 0.0066 0.0411 0.0397
Loa Loa (eye worm) hypothetical protein 0.0026 0.0091 0.0427
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0178 0.0283
Schistosoma mansoni lipoxygenase 0.002 0.0046 0.0032
Brugia malayi isocitrate dehydrogenase 0.0016 0.0014 0.0001
Brugia malayi thymidylate kinase 0.0223 0.1659 0.9186
Brugia malayi hypothetical protein 0.0241 0.1804 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0186 0.1027
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0495 0.2684
Echinococcus granulosus bloom syndrome protein 0.0021 0.0057 0.0164
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0017 0.0003
Echinococcus multilocularis musashi 0.0055 0.032 0.0475
Loa Loa (eye worm) hypothetical protein 0.002 0.0046 0.0179
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0119 0.0585
Mycobacterium tuberculosis Probable reductase 0.0108 0.0748 0.4224
Brugia malayi beta-lactamase family protein 0.0037 0.0178 0.0917
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0017 0.0005
Schistosoma mansoni ap endonuclease 0.0038 0.0189 0.0175
Trypanosoma brucei thymidylate kinase, putative 0.0223 0.1659 0.2838
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0178 0.0943
Loa Loa (eye worm) hypothetical protein 0.002 0.0046 0.0179
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0277 0.1471
Onchocerca volvulus 0.0037 0.0178 0.0819
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0178 0.0943
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0189 0.1047
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0017 0.0005
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0189 0.0271
Trypanosoma cruzi thymidylate kinase, putative 0.0223 0.1659 0.2838
Trypanosoma brucei thymidine kinase 0.0745 0.5809 1
Schistosoma mansoni thymidine kinase 0.0248 0.1862 0.185
Schistosoma mansoni hypothetical protein 0.0386 0.2957 0.2947
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0325 0.174
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0189 0.0297
Trypanosoma cruzi thymidylate kinase, putative 0.0223 0.1659 0.2838
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0189 0.0977
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0121 0.0721
Brugia malayi Doublecortin family protein 0.002 0.0046 0.0179
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0017 0.0005
Schistosoma mansoni ap endonuclease 0.0038 0.0189 0.0175
Onchocerca volvulus 0.0037 0.0178 0.0819
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.0845 0.4778
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0411 0.0684
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0325 0.1197
Trichomonas vaginalis thymidylate kinase, putative 0.0223 0.1659 0.2834
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0178 0.0943
Echinococcus multilocularis geminin 0.0343 0.2615 0.4033
Schistosoma mansoni survival motor neuron protein 0.0049 0.0277 0.0264
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0178 0.0254
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0495 0.0481
Entamoeba histolytica Thymidylate kinase, putative 0.0223 0.1659 0.2704
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0014 0.0001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0325 0.174
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0917
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0121 0.0179
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.0755 0.4495
Schistosoma mansoni hypothetical protein 0.0037 0.0178 0.0164
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.0755 0.1149
Brugia malayi TAR-binding protein 0.0076 0.0495 0.2684
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0178 0.0631
Giardia lamblia CDC8 0.0223 0.1659 0.2834
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.0755 0.1115
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0189 0.1047
Trichomonas vaginalis thymidine kinase, putative 0.0745 0.5809 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0178 0.0283
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Leishmania major hypothetical protein, conserved 0.0026 0.0091 0.0132
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.0748 0.4224
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0017 0.0017
Loa Loa (eye worm) RecQ helicase 0.0021 0.0057 0.0238
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Treponema pallidum ribonuclease H (rnhA) 0.0066 0.0411 0.2398
Brugia malayi follicle stimulating hormone receptor 0.0234 0.175 0.9698
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0162 0.0829
Loa Loa (eye worm) hypothetical protein 0.0025 0.0088 0.0412
Echinococcus granulosus thymidylate kinase 0.0223 0.1659 0.6322
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0178 0.0164
Trypanosoma brucei trypanothione reductase 0.0048 0.0264 0.0431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0325 0.0312
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0017 0.0005
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.0755 0.2849
Toxoplasma gondii ABC1 family protein 0.0037 0.0178 0.1074
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.029 0.1544
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0017 0.0016
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0178 0.0943
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0057 0.0068
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.0755 0.1115
Loa Loa (eye worm) glutathione reductase 0.0048 0.0264 0.1397
Echinococcus granulosus lamin 0.0055 0.032 0.1178
Mycobacterium ulcerans thymidylate kinase 0.0223 0.1659 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0917
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0017 0.0005
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0121 0.0179
Leishmania major hypothetical protein, conserved 0.0087 0.0582 0.0979
Leishmania major thymidylate kinase-like protein 0.0223 0.1659 0.2838
Schistosoma mansoni inositol monophosphatase 0.0038 0.0186 0.0172
Brugia malayi intermediate filament protein 0.0055 0.032 0.1711
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0046 0.0193
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0495 0.0481
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.0755 0.1278
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0189 0.0297
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0178 0.0943
Entamoeba histolytica hypothetical protein 0.0037 0.0178 0.01
Trypanosoma brucei thymidylate kinase, putative 0.0223 0.1659 0.2838
Echinococcus granulosus thymidine kinase 0.0248 0.1862 0.7103
Leishmania major thymidine kinase, putative 0.0745 0.5809 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0017 0.0005
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0046 0.005
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0189 0.0302
Plasmodium falciparum thymidylate kinase 0.0223 0.1659 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0325 0.0312
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.029 0.1544
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0121 0.0179
Onchocerca volvulus 0.0055 0.032 0.1702
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0017 0.0103
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0178 0.0278
Toxoplasma gondii thioredoxin reductase 0.0048 0.0264 0.1592
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0495 0.2684
Schistosoma mansoni hypothetical protein 0.0343 0.2615 0.2605
Schistosoma mansoni intermediate filament proteins 0.0055 0.032 0.0307
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0186 0.0296
Onchocerca volvulus 0.0049 0.0277 0.1434
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.0748 0.4224
Entamoeba histolytica hypothetical protein 0.0037 0.0178 0.01
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0046 0.0123
Loa Loa (eye worm) hypothetical protein 0.0051 0.029 0.1544
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0178 0.0283
Loa Loa (eye worm) hypothetical protein 0.0241 0.1804 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0022 0.0045
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0186 0.0114
Schistosoma mansoni hypothetical protein 0.0223 0.1659 0.1647
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0017 0.0012
Loa Loa (eye worm) doublecortin family protein 0.002 0.0046 0.0179
Mycobacterium tuberculosis Conserved protein 0.0037 0.0178 0.0943
Trypanosoma brucei ribonuclease H1 0.0066 0.0411 0.0684
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0223 0.1659 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0189 0.1132
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.0755 0.1278
Schistosoma mansoni loxhd1 0.002 0.0046 0.0032
Mycobacterium leprae Probable lipase LipE 0.0037 0.0178 0.0159
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.032 0.1711
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0017 0.0103
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.0845 0.4588
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0189 0.0302
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0264 0.0431
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.0755 0.1274
Giardia lamblia Thymidine kinase 0.0745 0.5809 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0091 0.0546
Brugia malayi Inositol-1 0.0038 0.0186 0.0959
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0178 0.063
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0264 0.0388
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0178 0.0164
Plasmodium falciparum thioredoxin reductase 0.0048 0.0264 0.1519
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.1804 0.2776
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0014 0.0077
Schistosoma mansoni phosphoglucomutase 0.0066 0.0411 0.0397
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0223 0.1659 1
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0264 0.1397
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0075 0.048 0.0804
Loa Loa (eye worm) beta-lactamase 0.0037 0.0178 0.0917
Brugia malayi glutathione reductase 0.0048 0.0264 0.1397
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0121 0.0728
Schistosoma mansoni lipoxygenase 0.0056 0.0334 0.032
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0121 0.0728
Brugia malayi phosphofructokinase 0.0109 0.0755 0.4139
Plasmodium falciparum glutathione reductase 0.0016 0.0017 0.0017
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0017 0.0005
Brugia malayi 6-phosphofructokinase 0.0109 0.0755 0.4139
Giardia lamblia Ribonuclease H 0.0066 0.0411 0.068
Brugia malayi RNA binding protein 0.0076 0.0495 0.2684
Echinococcus granulosus ribonuclease H1 0.0066 0.0411 0.1525
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0231 0.1725 0.1713
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0121 0.0179
Echinococcus multilocularis transfer RNA-Ile 0.0248 0.1862 0.2865
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0186 0.0291
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0917
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0189 0.0302
Loa Loa (eye worm) hypothetical protein 0.0035 0.0162 0.0829
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0046 0.005
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0495 0.0481
Brugia malayi hypothetical protein 0.0026 0.0091 0.0427
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0189 0.0977
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0121 0.0632
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0334 0.123
Echinococcus granulosus intermediate filament protein 0.0055 0.032 0.1178
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0121 0.0728
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0178 0.0278
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0178 0.0278
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0046 0.0269
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0186 0.1119
Schistosoma mansoni phosphoglucomutase 0.0066 0.0411 0.0397
Onchocerca volvulus 0.0037 0.0178 0.0819
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0827 0.6464 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0014 0.0086
Echinococcus multilocularis thymidine kinase 0.0248 0.1862 0.2865
Loa Loa (eye worm) hypothetical protein 0.0025 0.0088 0.0412
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0178 0.0159
Echinococcus multilocularis lamin 0.0055 0.032 0.0475
Echinococcus granulosus thymidine kinase 0.0248 0.1862 0.7103
Mycobacterium ulcerans beta-lactamase 0.0037 0.0178 0.0981
Loa Loa (eye worm) hypothetical protein 0.0054 0.0312 0.1667
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0186 0.0291
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.0755 0.0742
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1752 1
Trypanosoma brucei RNA helicase, putative 0.0386 0.2957 0.5078
Echinococcus granulosus geminin 0.0343 0.2615 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0096 0.0456
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0186 0.066
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0096 0.0314
Entamoeba histolytica thymidine kinase, putative 0.0745 0.5809 1
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.0755 0.1274
Mycobacterium ulcerans lipase LipD 0.0037 0.0178 0.0981
Echinococcus granulosus lamin dm0 0.0055 0.032 0.1178
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0189 0.0297
Onchocerca volvulus Putative thymidylate kinase 0.0223 0.1659 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0189 0.012
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0495 0.0481
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.0748 0.3949
Trypanosoma brucei unspecified product 0.0075 0.048 0.0804
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0057 0.0066
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0154 0.0806
Schistosoma mansoni lamin 0.0055 0.032 0.0307
Schistosoma mansoni hypothetical protein 0.0053 0.0306 0.0292
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0178 0.0943
Echinococcus multilocularis thymidylate kinase 0.0223 0.1659 0.255
Brugia malayi RNase H family protein 0.0066 0.0411 0.2215
Loa Loa (eye worm) thymidylate kinase 0.0223 0.1659 0.9186
Schistosoma mansoni inositol monophosphatase 0.0038 0.0186 0.0172
Trypanosoma brucei ingi protein (ORF1) 0.0075 0.048 0.0804
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0917
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0109 0.0755 0.4263
Schistosoma mansoni rab6-interacting 0.002 0.0046 0.0032
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0178 0.0943
Schistosoma mansoni rab6-interacting 0.002 0.0046 0.0032
Trichomonas vaginalis ribonuclease H1, putative 0.0066 0.0411 0.068
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0178 0.0254
Leishmania major hypothetical protein, conserved 0.0037 0.0178 0.0283
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.0755 0.4139
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.0755 0.1278
Loa Loa (eye worm) phosphofructokinase 0.0109 0.0755 0.4139
Brugia malayi hypothetical protein 0.002 0.0046 0.0179
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0121 0.0179
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.175 0.9698
Echinococcus multilocularis ribonuclease H1 0.0066 0.0411 0.0615
Onchocerca volvulus Ribonuclease H1 homolog 0.0066 0.0411 0.2261
Loa Loa (eye worm) inositol-1 0.0038 0.0186 0.0959
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.029 0.1544
Plasmodium falciparum glutathione reductase 0.0048 0.0264 0.1519
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0121 0.0648
Brugia malayi Thioredoxin reductase 0.0048 0.0264 0.1397
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0087 0.0582 0.0979
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.0755 0.1115
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0264 0.0961
Schistosoma mansoni hypothetical protein 0.0049 0.0277 0.0264
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0017 0.0005
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0046 0.005
Trypanosoma cruzi thymidine kinase, putative 0.0745 0.5809 1
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0264 0.1585
Brugia malayi RNase H family protein 0.0066 0.0411 0.2215

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 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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