Detailed information for compound 1116737

Basic information

Technical information
  • TDR Targets ID: 1116737
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[3,2-e ]pyrimidin-4-ylsulfanylacetamide
  • MW: 359.423 | Formula: C16H13N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1ncnc2c1ccs2)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C16H13N3O3S2/c20-14(7-24-16-11-3-4-23-15(11)18-8-19-16)17-6-10-1-2-12-13(5-10)22-9-21-12/h1-5,8H,6-7,9H2,(H,17,20)
  • InChiKey: CFRFGRBKHZQFHH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[3,2-e]pyrimidin-4-ylsulfanyl-acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-(4-thieno[3,2-e]pyrimidinylthio)acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-(thieno[3,2-e]pyrimidin-4-ylthio)acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-thieno[3,2-e]pyrimidin-4-ylsulfanyl-ethanamide
  • ZINC03604440
  • T5543312

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 14.7157 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (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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