Detailed information for compound 1318470

Basic information

Technical information
  • TDR Targets ID: 1318470
  • Name: 4-ethyl-3-furan-2-yl-5-[(3-methoxyphenyl)meth ylsulfanyl]-1,2,4-triazole
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 0 H acceptors: 2 LogP: 2.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CSc1nnc(n1CC)c1ccco1
  • InChi: 1S/C16H17N3O2S/c1-3-19-15(14-8-5-9-21-14)17-18-16(19)22-11-12-6-4-7-13(10-12)20-2/h4-10H,3,11H2,1-2H3
  • InChiKey: JDSTVXZKMYUQDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-ethyl-3-(2-furyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
  • 4-ethyl-3-(2-furyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazole
  • 4-ethyl-3-(2-furyl)-5-[(3-methoxybenzyl)thio]-1,2,4-triazole
  • MLS000041118
  • SMR000043517
  • ZINC00530286
  • STOCK4S-14885

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni 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
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Pyruvate kinase homolog 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative 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 brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei 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
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei pyruvate kinase, 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
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pyruvate kinase, muscle isozyme 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
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pyruvate kinase 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
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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis pyruvate kinase, 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus tar DNA 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
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.4036 0.6422
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.1014 0.1014
Echinococcus multilocularis pyruvate kinase 0.004 0.0687 0.1093
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0687 0.5
Onchocerca volvulus 0.0247 0.7935 1
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.004 0.0064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0367 0.0367
Brugia malayi Pre-SET motif family protein 0.0031 0.0367 0.0362
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0942 0.0999
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0687 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.1254 0.1996
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.4036 0.6422
Brugia malayi Pre-SET motif family protein 0.0217 0.6884 0.7577
Echinococcus granulosus geminin 0.0176 0.5449 0.8671
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.1254 0.1996
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.1014 0.1613
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.004 0.0064
Loa Loa (eye worm) hypothetical protein 0.0028 0.026 0.0243
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1955 0.212
Schistosoma mansoni coup transcription factor 0.0022 0.004 0.004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.004 0.004
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0071 0.0035
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.004 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0942 0.0942
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.004 0.0064
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0687 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0687 0.0716
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0687 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0367 0.0584
Schistosoma mansoni ap endonuclease 0.0023 0.0071 0.0071
Plasmodium vivax pyruvate kinase, putative 0.004 0.0687 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.1254 0.1996
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.004 0.0064
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0367 0.0584
Echinococcus multilocularis pyruvate kinase 0.004 0.0687 0.1093
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1955 0.1955
Echinococcus multilocularis geminin 0.0176 0.5449 0.8671
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1955 0.3111
Brugia malayi RNA binding protein 0.0076 0.1955 0.212
Chlamydia trachomatis pyruvate kinase 0.004 0.0687 0.5
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0687 0.0716
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.6884 0.7577
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.004 0.0064
Onchocerca volvulus 0.005 0.1014 0.1233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0942 0.0942
Echinococcus multilocularis thyroid hormone receptor alpha 0.0158 0.48 0.7638
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.004 0.004
Toxoplasma gondii exonuclease III APE 0.0023 0.0071 0.1038
Brugia malayi mbt repeat family protein 0.005 0.1014 0.1078
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.026 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.004 0.0064
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0071 0.0113
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1955 0.1955
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.1254 0.1254
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.004 0.0064
Brugia malayi follicle stimulating hormone receptor 0.028 0.9072 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0071 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1955 0.1955
Schistosoma mansoni ap endonuclease 0.0023 0.0071 0.0071
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.026 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1955 0.1955
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.004 0.0064
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.1254 0.1996
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0071 0.0035
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.004 0.004
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0071 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0687 0.0819
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0942 0.1499
Loa Loa (eye worm) pyruvate kinase 0.004 0.0687 0.0716
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.004 0.0064
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.004 0.0064
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.004 0.0064
Loa Loa (eye worm) hypothetical protein 0.0031 0.0367 0.0362
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1955 0.212
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0687 1
Echinococcus granulosus pyruvate kinase 0.004 0.0687 0.1093
Loa Loa (eye worm) hypothetical protein 0.0056 0.1254 0.1344
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0071 0.1038
Schistosoma mansoni thyroid hormone receptor 0.0158 0.48 0.48
Echinococcus granulosus FTZ F1 alpha 0.0022 0.004 0.0064
Brugia malayi TAR-binding protein 0.0076 0.1955 0.212
Schistosoma mansoni pyruvate kinase 0.004 0.0687 0.0687
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0071 0.1038
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0327 0.052
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0687 1
Schistosoma mansoni hypothetical protein 0.0176 0.5449 0.5449
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.1254 0.1344
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0942 0.1499
Loa Loa (eye worm) pyruvate kinase 0.004 0.0687 0.0716
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1955 0.212
Echinococcus granulosus tar DNA binding protein 0.0076 0.1955 0.3111
Echinococcus granulosus polycomb protein SCMH1 0.005 0.1014 0.1613
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0071 0.0113
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.1014 0.1233
Schistosoma mansoni thyroid hormone receptor 0.0158 0.48 0.48
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0367 0.5345
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.005 0.1014 0.1078
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0687 0.0819
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.004 0.004
Schistosoma mansoni nuclear hormone receptor 0.0022 0.004 0.004
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0687 0.0783
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0687 0.0716
Schistosoma mansoni hypothetical protein 0.0136 0.4036 0.4036
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1955 0.1955
Echinococcus granulosus endonuclease exonuclease phosphatase 0.02 0.6284 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0942 0.1499
Schistosoma mansoni sex comb on midleg homolog 0.005 0.1014 0.1014
Leishmania major pyruvate kinase 0.004 0.0687 1
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.004 0.004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0942 0.0942
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.9072 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0367 0.0367
Loa Loa (eye worm) MBCTL1 0.0056 0.1254 0.1344
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.004 0.0064
Loa Loa (eye worm) mbt repeat family protein 0.005 0.1014 0.1078
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.004 0.0064
Trypanosoma brucei pyruvate kinase 1 0.004 0.0687 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0942 0.1499
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0942 0.0999
Onchocerca volvulus 0.0031 0.0367 0.0414
Schistosoma mansoni pyruvate kinase 0.004 0.0687 0.0687
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.004 0.004
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.004 0.0687 0.0716
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0367 0.0584
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.004 0.0064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0367 0.0367
Mycobacterium ulcerans pyruvate kinase 0.004 0.0687 1
Leishmania major pyruvate kinase 0.004 0.0687 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0071 0.1038
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.1014 0.1613
Echinococcus multilocularis pyruvate kinase 0.0032 0.0389 0.062
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.02 0.6284 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.004 0.0064
Loa Loa (eye worm) RNA binding protein 0.0076 0.1955 0.212
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.004 0.0064
Plasmodium vivax SET domain protein, putative 0.0031 0.0367 0.5345
Schistosoma mansoni sex comb on midleg homolog 0.005 0.1014 0.1014
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0687 0.0819
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0367 0.0367
Plasmodium falciparum pyruvate kinase 0.004 0.0687 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0687 0.0783
Giardia lamblia Pyruvate kinase 0.004 0.0687 1
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.1014 0.1613
Schistosoma mansoni hypothetical protein 0.0176 0.5449 0.5449
Trichomonas vaginalis set domain proteins, putative 0.0247 0.7935 1
Brugia malayi mbt repeat family protein 0.005 0.1014 0.1078
Echinococcus granulosus pyruvate kinase 0.004 0.0687 0.1093

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0398 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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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