Detailed information for compound 1339907

Basic information

Technical information
  • TDR Targets ID: 1339907
  • Name: 3-[(1-naphthalen-2-ylsulfonyl-4,5-dihydroimid azol-2-yl)sulfanylmethyl]pyridine
  • MW: 383.487 | Formula: C19H17N3O2S2
  • H donors: 0 H acceptors: 3 LogP: 3.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(N1CCN=C1SCc1cccnc1)c1ccc2c(c1)cccc2
  • InChi: 1S/C19H17N3O2S2/c23-26(24,18-8-7-16-5-1-2-6-17(16)12-18)22-11-10-21-19(22)25-14-15-4-3-9-20-13-15/h1-9,12-13H,10-11,14H2
  • InChiKey: VVGBAVHCIBTZMB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[1-(2-naphthylsulfonyl)-4,5-dihydroimidazol-2-yl]sulfanylmethyl]pyridine
  • 3-[[[1-(2-naphthylsulfonyl)-4,5-dihydroimidazol-2-yl]thio]methyl]pyridine
  • MLS000680086
  • SMR000324717

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
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) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
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 pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
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
Trypanosoma brucei pyruvate kinase 1 0.004 0.2027 0.7302
Entamoeba histolytica cell division protein kinase 2, putative 0.0009 0.0033 0.0082
Leishmania major hypothetical protein, conserved 0.0041 0.21 0.504
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.6999 0.8837
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.21 0.2459
Echinococcus multilocularis pyruvate kinase 0.0032 0.1486 0.1729
Echinococcus granulosus cyclin dependent kinase 9 0.005 0.2633 0.3167
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.2027 0.7302
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0774 1
Schistosoma mansoni ap endonuclease 0.0021 0.0774 0.0763
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.213 0.4323
Entamoeba histolytica protein kinase domain containing protein 0.005 0.2633 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.21 0.4238
Giardia lamblia Pyruvate kinase 0.004 0.2027 1
Echinococcus granulosus pyruvate kinase 0.004 0.2027 0.2436
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.2091
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0774 0.2711
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0009 0.0033 0.0025
Loa Loa (eye worm) hypothetical protein 0.0028 0.125 0.1463
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2981 0.3481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2981 0.2973
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0604 0.2091
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.21 0.7568
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0604 0.2723
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0774 0.2711
Brugia malayi glutathione reductase 0.0052 0.2764 0.3236
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0604 0.2091
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.784 1
Plasmodium falciparum thioredoxin reductase 0.0052 0.2764 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0604 0.2091
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.21 0.2448
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0009 0.0033 0.0026
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0774 0.0906
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0774 0.3531
Schistosoma mansoni serine/threonine kinase 0.0009 0.0033 0.0022
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.2764 0.3326
Loa Loa (eye worm) pyruvate kinase 0.004 0.2027 0.2373
Echinococcus multilocularis pyruvate kinase 0.004 0.2027 0.2363
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0774 0.1805
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.005 0.2633 0.3082
Toxoplasma gondii exonuclease III APE 0.0021 0.0774 0.0479
Echinococcus multilocularis cyclin dependent kinase 9 0.005 0.2633 0.3073
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0604 0.2723
Leishmania major pyruvate kinase 0.004 0.2027 0.4863
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0774 0.0234
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4134 0.4127
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2981 0.3588
Leishmania major pyruvate kinase 0.004 0.2027 0.4863
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0774 0.0893
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.2027 0.951
Schistosoma mansoni pyruvate kinase 0.0021 0.0777 0.0766
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.2027 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2981 0.3489
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0774 0.0921
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0774 0.3531
Brugia malayi Cell division protein kinase 2 0.0009 0.0033 0.0039
Brugia malayi cyclin-dependent kinase 7 homolog 0.0009 0.0033 0.0039
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.2091
Brugia malayi hypothetical protein 0.0009 0.0012 0.0014
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0604 0.2091
Echinococcus granulosus serine:threonine protein kinase NLK 0.0009 0.0033 0.0026
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.21 0.7568
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0009 0.0033 0.0025
Echinococcus multilocularis cyclin dependent kinase 9 0.0058 0.3186 0.3721
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.784 1
Mycobacterium ulcerans pyruvate kinase 0.004 0.2027 0.4032
Schistosoma mansoni pyruvate kinase 0.004 0.2027 0.2018
Chlamydia trachomatis pyruvate kinase 0.004 0.2027 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1908 0.6863
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.2027 0.951
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1908 0.9399
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0604 0.2091
Giardia lamblia Pyruvate kinase 0.0021 0.0777 0.3731
Echinococcus granulosus pyruvate kinase 0.0021 0.0777 0.0925
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2981 0.2973
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.21 0.7568
Echinococcus granulosus cyclin dependent kinase 9 0.0058 0.3186 0.3835
Loa Loa (eye worm) acetyltransferase 0.0142 0.8542 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.6999 0.8837
Brugia malayi Thioredoxin reductase 0.0052 0.2764 0.3236
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0604 0.2091
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.1393
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.2027 0.2373
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.125 0.4725
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0774 0.0479
Plasmodium falciparum glutathione reductase 0.0052 0.2764 1
Brugia malayi Protein kinase domain containing protein 0.0009 0.0033 0.0039
Plasmodium vivax pyruvate kinase 2, putative 0.0021 0.0777 0.2724
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.2764 0.3227
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.03 0.0351
Echinococcus granulosus pyruvate kinase 0.0021 0.0777 0.0925
Brugia malayi Augmenter of liver regeneration 0.0041 0.21 0.2459
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.2027 0.1967
Plasmodium falciparum glutathione reductase 0.0018 0.0604 0.2091
Echinococcus granulosus pyruvate kinase 0.0021 0.0777 0.0925
Schistosoma mansoni protein kinase 0.0009 0.0033 0.0022
Echinococcus multilocularis pyruvate kinase 0.0021 0.0777 0.0897
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.8542 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.03 0.0351
Echinococcus granulosus pyruvate kinase 0.004 0.2027 0.2436
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.784 1
Brugia malayi cyclin-dependent kinase 9 0.005 0.2633 0.3082
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0604 0.1393
Toxoplasma gondii thioredoxin reductase 0.0052 0.2764 0.6119
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.4134 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0774 0.2711
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0774 0.2711
Loa Loa (eye worm) hypothetical protein 0.004 0.2027 0.2373
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.213 0.4323
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.2764 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0604 0.0707
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2981 0.3489
Loa Loa (eye worm) haspin protein kinase 0.0009 0.0033 0.0039
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.2091
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.6999 0.8837
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1908 0.7233
Loa Loa (eye worm) haspin protein kinase 0.0009 0.0012 0.0014
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.2764 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.6999 0.8837
Leishmania major trypanothione reductase 0.0052 0.2764 0.666
Loa Loa (eye worm) pyruvate kinase 0.004 0.2027 0.2373
Loa Loa (eye worm) glutathione reductase 0.0052 0.2764 0.3236
Plasmodium vivax pyruvate kinase, putative 0.004 0.2027 0.7302
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0774 0.2907
Echinococcus multilocularis pyruvate kinase 0.0021 0.0777 0.0897
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0604 0.2864
Entamoeba histolytica protein kinase domain containing protein 0.0009 0.0033 0.0082
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4134 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.8542 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4134 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0604 0.2091
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0118 0.6999 0.8553
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.4134 0.4981
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0774 0.3712
Plasmodium vivax glutathione reductase, putative 0.0052 0.2764 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0774 0.2711
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.213 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0774 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0604 0.1393
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.784 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.21 0.4238
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.21 0.2524
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.1393
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.2091
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.6999 0.8837
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4134 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.2027 0.2373
Plasmodium falciparum pyruvate kinase 2 0.0021 0.0777 0.2724
Schistosoma mansoni ap endonuclease 0.0021 0.0774 0.0763
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4134 0.4127
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.2027 0.5
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0009 0.0033 0.0039
Plasmodium falciparum pyruvate kinase 0.004 0.2027 0.7302
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.21 0.7568
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.2027 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0604 0.0593
Schistosoma mansoni serine/threonine protein kinase 0.0009 0.0033 0.0022
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.4134 0.4832
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.0236 0.0276
Schistosoma mansoni serine/threonine protein kinase 0.005 0.2633 0.2624
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.2027 0.7302
Plasmodium falciparum thioredoxin reductase 0.0018 0.0604 0.2091
Mycobacterium tuberculosis Probable reductase 0.0118 0.6999 0.8837
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.2027 0.4032
Schistosoma mansoni pyruvate kinase 0.004 0.2027 0.2018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2981 0.2973
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0604 0.2091
Echinococcus multilocularis pyruvate kinase 0.0021 0.0777 0.0897
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.2091
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0604 0.0695
Toxoplasma gondii pyruvate kinase PyKII 0.0021 0.0777 0.049
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.21 0.7568
Echinococcus multilocularis pyruvate kinase 0.004 0.2027 0.2363
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.213 1
Brugia malayi GSG2 0.0009 0.0012 0.0014
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.2764 0.3236
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.213 0.256
Loa Loa (eye worm) haspin protein kinase 0.0009 0.0012 0.0014
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0009 0.0033 0.0039
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.2027 0.7302
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.125 0.1463
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0604 0.2091
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0774 0.0906
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.2764 0.2985
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0604 0.2091
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0604 0.2091
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.8288 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.213 0.7678
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2981 0.3481
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.21 0.7568
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.4134 0.4878
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0604 0.2091
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.8542 0.8541
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2981 0.3588
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.4134 1
Trypanosoma brucei trypanothione reductase 0.0052 0.2764 1
Schistosoma mansoni kinase 0.005 0.2633 0.2624
Echinococcus granulosus mitogen activated protein kinase 15 0.0009 0.0033 0.0026
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.2027 0.2373
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0604 0.0716

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.072 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 1.9953 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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