Detailed information for compound 314948

Basic information

Technical information
  • TDR Targets ID: 314948
  • Name: 4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-2-phenylp rop-1-enyl]-1H-indole-2-carboxylic acid
  • MW: 376.19 | Formula: C18H11Cl2NO4
  • H donors: 3 H acceptors: 4 LogP: 4.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(Cl)c2c(c1)[nH]c(c2/C=C(\c1ccccc1)/C(=O)O)C(=O)O
  • InChi: 1S/C18H11Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-8,21H,(H,22,23)(H,24,25)/b11-8+
  • InChiKey: LPWVUDLZUVBQGP-DHZHZOJOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-2-phenyl-prop-1-enyl]-1H-indole-2-carboxylic acid
  • 4,6-dichloro-3-[(E)-3-hydroxy-3-keto-2-phenyl-prop-1-enyl]-1H-indole-2-carboxylic acid
  • MDL 105519
  • (E)-4,6-Dichloro-3-(2-phenyl-2-carboxyethenyl)indole-2-carboxylic acid
  • M216_SIGMA
  • MDL 105,519
  • Lopac0_000805
  • EU-0100805
  • Lopac-M-216
  • NCGC00015639-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni ap endonuclease 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glycosyl transferase, family 35 0.1679 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0058 0.0056
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0055 0.0054
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0048
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0131 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.1679 1 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0131 0.013
Entamoeba histolytica hypothetical protein 0.0023 0.0058 0.0056
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0055 0.0761
Echinococcus granulosus Glycosyl transferase family 35 0.1679 1 1
Echinococcus granulosus expressed protein 0.0451 0.2625 0.2625
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.0058 0.0058
Entamoeba histolytica glycogen phosphorylase, putative 0.1679 1 1
Chlamydia trachomatis glycogen phosphorylase 0.1679 1 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0023 0.0057 0.0004
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0023 0.0058 0.0056
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.0058 0.0058
Echinococcus granulosus axis inhibition protein axin 0.0023 0.0058 0.0058
Trichomonas vaginalis glutaminase, putative 0.033 0.1901 0.19
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0707 0.0706
Schistosoma mansoni lamin 0.0033 0.0114 0.0114
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0055 0.0761
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0707 0.0707
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.0058 0.0058
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.0058 0.0058
Schistosoma mansoni glycogen phosphorylase 0.0726 0.4277 0.4277
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0073 0.0072
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0707 0.0706
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0114 0.0105
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.0058 0.0048
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.0058 0.0034
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0179 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0058 0.0056
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.0058 0.0034
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.0058 0.0058
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.0058 0.0058
Echinococcus multilocularis musashi 0.0033 0.0114 0.0114
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0055 0.0055
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0726 0.4277 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0055 0.0055
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0073 0.005
Brugia malayi 6-phosphofructokinase 0.0131 0.0707 0.0685
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0131 0.013
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0131 0.0075
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.0058 0.0058
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0058 0.0058
Brugia malayi glutaminase DH11.1 0.033 0.1901 0.1882
Schistosoma mansoni axis inhibition protein axin 0.0023 0.0058 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0707 0.0706
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0058 0.0056
Loa Loa (eye worm) glutaminase 2 0.033 0.1901 0.1893
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0131 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0048
Mycobacterium ulcerans glutaminase 0.033 0.1901 0.4372
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0131 0.013
Schistosoma mansoni hypothetical protein 0.0205 0.1147 0.1147
Echinococcus granulosus intermediate filament protein 0.0033 0.0114 0.0114
Brugia malayi PXA domain containing protein 0.0023 0.0058 0.0034
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0048
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.0058 0.0058
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.011 0.011
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0131 0.0075
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0179 0.0179
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0131 0.1175
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0707 0.0706
Echinococcus multilocularis lamin dm0 0.0033 0.0114 0.0114
Schistosoma mansoni lamin 0.0033 0.0114 0.0114
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.0058 0.0058
Brugia malayi 6-phosphofructokinase 0.0131 0.0707 0.0685
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0023 0.0057 0.0026
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0707 0.0707
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0707 0.0706
Brugia malayi intermediate filament protein 0.0033 0.0114 0.0091
Loa Loa (eye worm) hypothetical protein 0.0016 0.0013 0.0004
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.0707 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0726 0.4277 0.4277
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0023 0.0057 0.0026
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0048
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0058 0.0058
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.0058 0.0034
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0058 0.0058
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0023 0.0058 0.0056
Schistosoma mansoni intermediate filament proteins 0.0033 0.0114 0.0114
Echinococcus granulosus geminin 0.0205 0.1147 0.1147
Echinococcus multilocularis glycogen phosphorylase 0.1679 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0114 0.0105
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0707 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0131 0.0077
Schistosoma mansoni hypothetical protein 0.0043 0.0179 0.0179
Echinococcus multilocularis geminin 0.0205 0.1147 0.1147
Loa Loa (eye worm) RecQ helicase 0.0026 0.0073 0.0064
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0707 0.0707
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.0058 0.0048
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0707 0.0706
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0013 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0058 0.0056
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.0058 0.0048
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0055 0.0761
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0058 0.0056
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.0058 0.0058
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0726 0.4277 1
Schistosoma mansoni hypothetical protein 0.0205 0.1147 0.1147
Entamoeba histolytica hypothetical protein 0.0043 0.0179 0.0178
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0055 0.0046
Schistosoma mansoni ap endonuclease 0.0023 0.0055 0.0055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0055 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0179 0.0179
Brugia malayi hypothetical protein 0.0023 0.0058 0.0034
Trichomonas vaginalis glycogen phosphorylase, putative 0.1679 1 1
Echinococcus granulosus lamin dm0 0.0033 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0048
Entamoeba histolytica glycogen phosphorylase, putative 0.1679 1 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.1679 1 1
Brugia malayi PXA domain containing protein 0.0023 0.0058 0.0034
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0707 0.1544
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.0058 0.0058
Schistosoma mansoni axis inhibition protein axin 0.0023 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0023 0.0058 0.0056
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.011 0.011
Echinococcus granulosus glycogen phosphorylase 0.1679 1 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.0058 0.0034
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0073 0.0072
Entamoeba histolytica hypothetical protein 0.0043 0.0179 0.0178
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0023 0.0014
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.0058 0.0034
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0131 1
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.0058 0.0048
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.0058 0.0034
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.0058 0.0058
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0707 0.1544
Entamoeba histolytica glycogen phosphorylase, putative 0.0726 0.4277 0.4277
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0131 1
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0707 0.0698
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0131 0.013
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0707 1
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0058 0.0058
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0041 0.0041
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0055 0.0054
Loa Loa (eye worm) glutaminase 0.033 0.1901 0.1893
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.0058 0.0058
Echinococcus granulosus lamin 0.0033 0.0114 0.0114
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0013 0.0013
Brugia malayi phosphofructokinase 0.0131 0.0707 0.0685
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0131 0.013
Loa Loa (eye worm) hypothetical protein 0.0032 0.0111 0.0101
Giardia lamblia Glycogen phosphorylase 0.1679 1 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0707 0.0698
Toxoplasma gondii exonuclease III APE 0.0023 0.0055 0.3011
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.0058 0.0058
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0058 0.0058
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.0058 0.0058
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0058 0.0058
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0058 0.0056
Echinococcus granulosus glycogen phosphorylase 0.1679 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0114 0.0091
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0058 0.0058
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0055 0.0032
Loa Loa (eye worm) hypothetical protein 0.0021 0.0042 0.0033
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0131 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0726 0.4277 0.4277
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0073 0.0073
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0055 0.0054
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0131 1
Brugia malayi hypothetical protein 0.0023 0.0058 0.0034
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0055 0.0761
Schistosoma mansoni glycogen phosphorylase 0.1679 1 1
Loa Loa (eye worm) RGS-3 protein 0.0023 0.0058 0.0048
Echinococcus granulosus bloom syndrome protein 0.0026 0.0073 0.0073
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.0058 0.0058
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0131 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.0058 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0131 0.013
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0023 0.0057 0.0004
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.0058 0.0058
Schistosoma mansoni glutaminase 0.033 0.1901 0.1901
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0114 0.0105
Loa Loa (eye worm) glycogen phosphorylase 0.1679 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0055 0.0055
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0707 1
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.0058 0.0058
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0707 0.0707
Entamoeba histolytica hypothetical protein 0.0043 0.0179 0.0178
Loa Loa (eye worm) hypothetical protein 0.0023 0.0058 0.0048
Echinococcus multilocularis expressed protein 0.0451 0.2625 0.2625
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.0058 0.0058
Schistosoma mansoni glycogen phosphorylase 0.1679 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0055 0.2931
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0707 0.0706
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0707 0.0698
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.0058 0.0058
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0055 0.0056
Echinococcus multilocularis glycogen phosphorylase 0.1679 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0707 1
Echinococcus multilocularis lamin 0.0033 0.0114 0.0114
Echinococcus granulosus axis inhibition protein axin 0.0023 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0043 0.0179 0.0178
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0131 0.013
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0131 0.013
Brugia malayi hypothetical protein 0.0043 0.0179 0.0156
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.011 0.011

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
ED50 (functional) = 12.2 mg kg-1 In vivo effective dose to protect the mouse (DBA/2J) from audiogenic seizures upon intraperitoneal administration ChEMBL. 15715469
ED50 (functional) = 12.2 mg kg-1 In vivo effective dose to protect the mouse (DBA/2J) from audiogenic seizures upon intraperitoneal administration ChEMBL. 15715469
ED50 (functional) = 29 mg kg-1 In vivo effective dose to protect rats against maximal electroshock induced seizures upon intravenous administration ChEMBL. 15715469
ED50 (functional) = 37 mg kg-1 In vivo effective dose of compound to protect mice from quinolinic acid seizures upon intravenous administration ChEMBL. 15715469
ED50 (functional) = 37 mg kg-1 In vivo effective dose of compound to protect mice from quinolinic acid seizures upon intravenous administration ChEMBL. 15715469
ED50 (functional) = 59 mg kg-1 In vivo effective dose against harmaline induced cGMP elevation in mouse cerebellum upon intravenous administration ChEMBL. 15715469
ED50 (functional) = 59 mg kg-1 In vivo effective dose against harmaline induced cGMP elevation in mouse cerebellum upon intravenous administration ChEMBL. 15715469
IC50 (binding) = 10.9 nM In vitro inhibitory concentration against binding of the [3H]-Glycine to strychnine-insensitive glycine binding sites of rat N-methyl-D-aspartate glutamate receptor ChEMBL. 15715469
IC50 (binding) = 10.9 nM In vitro inhibitory concentration against binding of the [3H]-Glycine to strychnine-insensitive glycine binding sites of rat N-methyl-D-aspartate glutamate receptor ChEMBL. 15715469
IC50 (functional) = 282 nM In vitro inhibitory concentration against glutmatate stimulated accumulation of cyclic GMP in neonatal rat cerebral slices ChEMBL. 15715469
IC50 (functional) = 0.011 uM Antagonist activity of compound against rat N-methyl-D-aspartate glutamate receptor using 11 nM [3H]-glycine ChEMBL. 15715469
IC50 (functional) = 0.011 uM Antagonist activity of compound against rat N-methyl-D-aspartate glutamate receptor using 11 nM [3H]-glycine ChEMBL. 15715469
IC50 (binding) = 0.022 uM Displacement of [3H]MDL105519 from NMDA receptor glycine binding site in Wistar rat cerebral cortex after 30 mins ChEMBL. 23403082
Inhibition (binding) = -3 % Displacement of [3H]MDL105519 from NMDA receptor glycine binding site in Wistar rat cerebral cortex at 10 uM after 30 mins relative to control ChEMBL. 23403082
Ki (binding) = 0.021 uM Displacement of [3H]MDL105519 from NMDA receptor glycine binding site in Wistar rat cerebral cortex after 30 mins ChEMBL. 23403082
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) 0.0045 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1499 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493163, AID504444, AID504648] ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488774] ChEMBL. No reference
Potency (functional) = 18.3564 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 26.6795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 28.1838 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 75.6863 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Saccharomyces cerevisiae 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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