Detailed information for compound 1317501

Basic information

Technical information
  • TDR Targets ID: 1317501
  • Name: 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-di hydroquinoxalin-2-one
  • MW: 312.75 | Formula: C17H13ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccccc2N(C1)C(=O)/C=C/c1ccc(cc1)Cl
  • InChi: 1S/C17H13ClN2O2/c18-13-8-5-12(6-9-13)7-10-17(22)20-11-16(21)19-14-3-1-2-4-15(14)20/h1-10H,11H2,(H,19,21)/b10-7+
  • InChiKey: NMAUPIUJTPMSRD-JXMROGBWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-1,3-dihydroquinoxalin-2-one
  • 4-[(E)-3-(4-chlorophenyl)acryloyl]-1,3-dihydroquinoxalin-2-one
  • MLS001007398
  • SMR000384622
  • T5338669
  • ZINC05938915

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
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 apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium knowlesi 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
Brugia malayi exodeoxyribonuclease III family protein 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 mansoni ap endonuclease 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lamin 0.0026 0.014 0.0508
Brugia malayi Calcium binding EGF domain containing protein 0.0074 0.0759 0.2064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0048 0.0175
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0256 0.1696
Onchocerca volvulus 0.0074 0.0759 0.1843
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0099 0.0037
Brugia malayi Pre-SET motif family protein 0.0202 0.2419 0.6581
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0175
Echinococcus granulosus notch 0.0074 0.0759 0.2744
Schistosoma mansoni lamin 0.0026 0.014 0.0508
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0096 0.375
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0096 0.5431
Brugia malayi Animal haem peroxidase family protein 0.0228 0.2764 0.7522
Schistosoma mansoni notch 0.0074 0.0759 0.2744
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0099 0.0271
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0175
Echinococcus multilocularis slit 2 protein 0.0074 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.1571 0.1571
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0099 1
Schistosoma mansoni hypothetical protein 0.0164 0.1932 0.699
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.104 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.1199
Onchocerca volvulus 0.0074 0.0759 0.1843
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0256 0.3374
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Schistosoma mansoni hypothetical protein 0.0039 0.0314 0.1134
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0033 0.0229 0.8936
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0066
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0074 0.0759 0.2744
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus multilocularis expressed conserved protein 0.009 0.0964 0.0964
Brugia malayi intermediate filament protein 0.0026 0.014 0.0382
Brugia malayi hypothetical protein 0.0228 0.2764 0.7522
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0096 0.375
Loa Loa (eye worm) hypothetical protein 0.006 0.0582 0.1585
Onchocerca volvulus 0.023 0.278 0.7498
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Brugia malayi GCC2 and GCC3 family protein 0.0074 0.0759 0.2064
Echinococcus granulosus intermediate filament protein 0.0026 0.014 0.0508
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.1199
Onchocerca volvulus Peroxidase homolog 0.0228 0.2764 0.7453
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0096 0.0096
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0024 0.5
Echinococcus granulosus lamin 0.0026 0.014 0.0508
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0066
Onchocerca volvulus Peroxidase homolog 0.0228 0.2764 0.7453
Loa Loa (eye worm) hypothetical protein 0.0023 0.0099 0.0271
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.1199
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0024 0.2422
Onchocerca volvulus 0.0026 0.014 0.0115
Brugia malayi Cadherin domain containing protein 0.0074 0.0759 0.2064
Loa Loa (eye worm) hypothetical protein 0.0095 0.104 0.2828
Loa Loa (eye worm) blistered cuticle protein 3 0.0299 0.3675 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0074 0.0759 0.0759
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0099 0.5
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0099 0.0037
Echinococcus multilocularis fibropellin Ia 0.0074 0.0759 0.0759
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0099 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0099 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.185 0.185
Plasmodium vivax SET domain protein, putative 0.0029 0.0177 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0096 0.5
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0256 0.0596
Echinococcus multilocularis neurogenic locus notch protein 0.0074 0.0759 0.0759
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0582 0.1585
Loa Loa (eye worm) animal heme peroxidase 0.0228 0.2764 0.7522
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.185 0.5035
Schistosoma mansoni notch 0.0074 0.0759 0.2744
Onchocerca volvulus 0.0029 0.0177 0.0216
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0639
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0333 0.1203
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Brugia malayi Delta serrate ligand family protein 0.0074 0.0759 0.2064
Brugia malayi Cadherin domain containing protein 0.0074 0.0759 0.2064
Brugia malayi Blistered cuticle protein 3 0.0299 0.3675 1
Schistosoma mansoni laminin gamma-3 chain 0.0074 0.0759 0.2744
Onchocerca volvulus 0.0228 0.2764 0.7453
Schistosoma mansoni hypothetical protein 0.0039 0.0314 0.1134
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0256 0.0926
Trichomonas vaginalis set domain proteins, putative 0.023 0.278 1
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.104 0.376
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Echinococcus multilocularis neurogenic locus protein delta 0.0074 0.0759 0.0759
Giardia lamblia High cysteine protein 0.0074 0.0759 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0335 0.0912
Echinococcus multilocularis neurogenic locus notch protein 0.0074 0.0759 0.0759
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0256 1
Onchocerca volvulus 0.0091 0.0986 0.248
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus multilocularis notch 0.0074 0.0759 0.0759
Trypanosoma brucei glucosidase, putative 0.0035 0.0256 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0256 0.0596
Echinococcus multilocularis protein jagged 1 0.0074 0.0759 0.0759
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0099 1
Onchocerca volvulus 0.0228 0.2764 0.7453
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0012 0.1199
Loa Loa (eye worm) Notch2 0.0074 0.0759 0.2064
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0096 0.375
Schistosoma mansoni alpha-glucosidase 0.0136 0.1565 0.5661
Onchocerca volvulus 0.0074 0.0759 0.1843
Schistosoma mansoni alpha-glucosidase 0.0136 0.1565 0.5661
Loa Loa (eye worm) hypothetical protein 0.005 0.0452 0.123
Brugia malayi Calcium binding EGF domain containing protein 0.0074 0.0759 0.2064
Echinococcus granulosus protein jagged 2 0.0074 0.0759 0.2744
Echinococcus granulosus GPCR family 2 0.0019 0.0048 0.0175
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Onchocerca volvulus Neurogenic locus notch homolog 0.0074 0.0759 0.1843
Brugia malayi Animal haem peroxidase family protein 0.0228 0.2764 0.7522
Loa Loa (eye worm) hypothetical protein 0.0041 0.0333 0.0905
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0256 0.0596
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Echinococcus multilocularis geminin 0.0164 0.1932 0.1932
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0333 0.0905
Echinococcus granulosus neurogenic locus notch protein 0.0074 0.0759 0.2744
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0639
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus multilocularis neural cadherin 0.0074 0.0759 0.0759
Schistosoma mansoni ap endonuclease 0.0023 0.0096 0.0347
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0256 0.0596
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0256 1
Brugia malayi Peroxidasin 0.0228 0.2764 0.7522
Schistosoma mansoni patched 1 0.0041 0.0333 0.1203
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0074 0.0759 0.1843
Echinococcus granulosus delta-like protein 1 0.0074 0.0759 0.2744
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0333 0.0882
Echinococcus granulosus peroxidasin 0.0228 0.2764 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0096 0.375
Schistosoma mansoni ap endonuclease 0.0023 0.0096 0.0347
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0256 0.0596
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0099 1
Echinococcus multilocularis neurogenic locus protein delta 0.0074 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Echinococcus multilocularis peroxidasin 0.0228 0.2764 0.2764
Schistosoma mansoni septate junction protein 0.0074 0.0759 0.2744
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0582 0.1585
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus granulosus neurogenic locus protein delta 0.0074 0.0759 0.2744
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus granulosus fibropellin Ia 0.0074 0.0759 0.2744
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0048 0.0132
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0066
Echinococcus granulosus neurogenic locus notch protein 0.0074 0.0759 0.2744
Onchocerca volvulus 0.0026 0.014 0.0115
Loa Loa (eye worm) hypothetical protein 0.0023 0.0099 0.0271
Echinococcus multilocularis protein jagged 1 0.0074 0.0759 0.0759
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0048 0.0048
Schistosoma mansoni cell polarity protein 0.0074 0.0759 0.2744
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.185 0.5035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0582 0.1585
Echinococcus multilocularis protein patched 0.0041 0.0333 0.0333
Brugia malayi Muscle positioning protein 4 0.0074 0.0759 0.2064
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0096 0.9538
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Onchocerca volvulus Peroxidasin homolog 0.0228 0.2764 0.7453
Schistosoma mansoni notch 0.0074 0.0759 0.2744
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Schistosoma mansoni notch 0.0074 0.0759 0.2744
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0099 0.0271
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.185 0.185
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Echinococcus granulosus lamin dm0 0.0026 0.014 0.0508
Loa Loa (eye worm) hypothetical protein 0.0026 0.0134 0.0365
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0177 0.0639
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0099 0.3886
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0048 0.0132
Loa Loa (eye worm) animal heme peroxidase 0.0228 0.2764 0.7522
Echinococcus granulosus protein jagged 2 0.0074 0.0759 0.2744
Schistosoma mansoni peroxidasin 0.0228 0.2764 1
Schistosoma mansoni hypothetical protein 0.0039 0.0314 0.1134
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0096 0.0261
Echinococcus multilocularis musashi 0.0026 0.014 0.014
Schistosoma mansoni notch 0.0074 0.0759 0.2744
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0099 0.0271
Echinococcus multilocularis lamin 0.0026 0.014 0.014
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0333 0.1203
Onchocerca volvulus Dual oxidase homolog 0.0299 0.3675 1
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0175
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0074 0.0759 0.2064
Onchocerca volvulus Putative cubilin 0.0074 0.0759 0.1843
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0096 0.0347
Loa Loa (eye worm) hypothetical protein 0.0266 0.3248 0.8837
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Schistosoma mansoni hypothetical protein 0.0019 0.0048 0.0175
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0177 0.0177
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.014 0.0382
Leishmania major ferric reductase, putative 0.0033 0.0229 0.8936
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus granulosus geminin 0.0164 0.1932 0.699
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0099 0.0037
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Schistosoma mansoni intermediate filament proteins 0.0026 0.014 0.0508
Echinococcus granulosus neural cadherin 0.0074 0.0759 0.2744
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0033 0.0229 0.8936
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.104 0.104
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0066
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0177 0.233
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0256 0.0596
Loa Loa (eye worm) animal heme peroxidase 0.0228 0.2764 0.7522
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0048 0.0132
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0099 0.3886
Schistosoma mansoni hypothetical protein 0.0041 0.0335 0.1213
Onchocerca volvulus 0.0228 0.2764 0.7453
Brugia malayi Animal haem peroxidase family protein 0.0228 0.2764 0.7522
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.185 0.6693
Brugia malayi Animal haem peroxidase family protein 0.0228 0.2764 0.7522
Onchocerca volvulus Slit protein homolog 0.0074 0.0759 0.1843
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.014 0.0382
Loa Loa (eye worm) hypothetical protein 0.0019 0.0048 0.0132
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0096 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0256 0.0926
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0163 0.0589
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0256 0.0697
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0099 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.014 0.0382
Onchocerca volvulus 0.0074 0.0759 0.1843
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.1571 0.5682
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0256 0.0596
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0024 0.251
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0256 0.0256
Onchocerca volvulus Peroxidasin homolog 0.0228 0.2764 0.7453
Loa Loa (eye worm) animal heme peroxidase 0.0228 0.2764 0.7522
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0096 0.0261
Echinococcus multilocularis lamin dm0 0.0026 0.014 0.014
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1059 0.383
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0099 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0099 0.0271
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0099 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0024 0.0066
Brugia malayi Calcium binding EGF domain containing protein 0.0074 0.0759 0.2064
Echinococcus multilocularis protein jagged 2 0.0074 0.0759 0.0759
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0033 0.0229 0.8936
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus granulosus protein jagged 1 0.0074 0.0759 0.2744
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0177 0.0639
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0256 0.0697
Schistosoma mansoni hypothetical protein 0.0164 0.1932 0.699
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0335 0.0912
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0099 0.3886
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0256 1
Toxoplasma gondii EGF family domain-containing protein 0.0074 0.0759 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0096 0.965
Schistosoma mansoni hypothetical protein 0.0074 0.0759 0.2744
Brugia malayi Animal haem peroxidase family protein 0.0228 0.2764 0.7522
Schistosoma mansoni notch 0.0074 0.0759 0.2744
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0096 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Echinococcus multilocularis protein dispatched 1 0.0047 0.0408 0.0408
Echinococcus granulosus expressed conserved protein 0.009 0.0964 0.3489
Schistosoma mansoni peroxidasin 0.0228 0.2764 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0256 0.0596
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Mycobacterium ulcerans hypothetical protein 0.0023 0.0099 1
Brugia malayi EGF-like domain containing protein 0.0074 0.0759 0.2064
Onchocerca volvulus Chorion peroxidase homolog 0.0228 0.2764 0.7453
Brugia malayi notch-like transmembrane receptor 0.0074 0.0759 0.2064
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Toxoplasma gondii exonuclease III APE 0.0023 0.0096 0.1265
Loa Loa (eye worm) hypothetical protein 0.0228 0.2764 0.7522
Schistosoma mansoni hypothetical protein 0.0039 0.0314 0.1134
Echinococcus granulosus protein jagged 1 0.0074 0.0759 0.2744
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0029 0.0177 0.0481
Brugia malayi Pre-SET motif family protein 0.0029 0.0177 0.0481
Loa Loa (eye worm) notch protein 0.0074 0.0759 0.2064
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0177 0.0639
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0256 0.0596
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0256 0.1696
Brugia malayi CHE-14 protein 0.0041 0.0333 0.0905
Loa Loa (eye worm) hypothetical protein 0.0026 0.014 0.0382
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.104 0.2828
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0099 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0024 0.1363
Echinococcus granulosus slit 2 protein 0.0074 0.0759 0.2744
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0099 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0048 0.0175
Echinococcus multilocularis GPCR, family 2 0.0019 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0074 0.0759 0.2064
Onchocerca volvulus 0.0074 0.0759 0.1843
Echinococcus granulosus neurogenic locus notch protein 4 0.0074 0.0759 0.2744
Echinococcus multilocularis fat cadherin tumor suppressor 0.0074 0.0759 0.0759
Schistosoma mansoni slit 0.0074 0.0759 0.2744
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2419 0.6581

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) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.285 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) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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