Detailed information for compound 1120648

Basic information

Technical information
  • TDR Targets ID: 1120648
  • Name: 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl) quinoxalin-2-yl]propanoic acid
  • MW: 376.329 | Formula: C19H15F3N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1nc2cc(ccc2n(c1=O)Cc1ccccc1)C(F)(F)F
  • InChi: 1S/C19H15F3N2O3/c20-19(21,22)13-6-8-16-15(10-13)23-14(7-9-17(25)26)18(27)24(16)11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2,(H,25,26)
  • InChiKey: XNLWFJQKWREPDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid
  • 3-[4-(benzyl)-3-keto-7-(trifluoromethyl)quinoxalin-2-yl]propionic acid
  • IDI1_007783
  • T0514-0349
  • Enamine_005196

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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 braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease 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
Trichomonas vaginalis ap endonuclease, 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
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva hypothetical protein 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi exodeoxyribonuclease III family protein 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 multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0053
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.0019 0.212
Brugia malayi Calcitonin receptor-like protein seb-1 0.0214 0.0426 0.0426
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0019 0.0019
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0019 0.0019
Brugia malayi hypothetical protein 0.0129 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.007 0.0122 0.0122
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0092 0.4701
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0053
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0053 0.073
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0053 0.0885
Loa Loa (eye worm) hypothetical protein 0.0027 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0055 0.0092 0.0092
Onchocerca volvulus 0.0037 0.0053 0.0165
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0214 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0129 0.0247 0.0247
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0023 0.0028
Brugia malayi hypothetical protein 0.0076 0.0134 0.0134
Onchocerca volvulus 0.0037 0.0053 0.0165
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.0122 0.1688
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0053 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0066 0.0349
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0053
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0023 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0136 0.1883
Schistosoma mansoni survival motor neuron protein 0.0051 0.0083 0.114
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.2585 0.5409 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0053
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0023 0.253
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0196 0.27
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0118 0.163
Schistosoma mansoni DNA helicase recq5 0.0021 0.0019 0.0269
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1874 0.3914 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.0019 0.1449
Loa Loa (eye worm) hypothetical protein 0.0214 0.0426 0.0426
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0053 0.0885
Brugia malayi isocitrate dehydrogenase 0.0018 0.0012 0.0012
Echinococcus granulosus tar DNA binding protein 0.0076 0.0136 0.1883
Loa Loa (eye worm) hypothetical protein 0.4769 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0136 0.1883
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.0019 0.0269
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.007 0.0122 0.1067
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0059 0.0518
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0026 0.003 0.003
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0136 0.0136
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0012 0.0633
Trichomonas vaginalis glucosylceramidase, putative 0.0557 0.1146 1
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0012 0.0633
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0012 0.1346
Schistosoma mansoni hypothetical protein 0.0068 0.0118 0.163
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0053 0.0104
Loa Loa (eye worm) hypothetical protein 0.0056 0.0093 0.0093
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0066 0.0574
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0093 0.0093
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0053 1
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0093 0.0093
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0019 0.017
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0053 0.0053
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0023 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.0019 0.0269
Entamoeba histolytica hypothetical protein 0.0076 0.0134 1
Brugia malayi latrophilin 2 splice variant baaae 0.0146 0.0283 0.0283
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0012 0.0023
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0019 0.0018
Leishmania major hypothetical protein, conserved 0.0037 0.0053 0.0104
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0012 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0059 0.0518
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0053 0.0885
Schistosoma mansoni hypothetical protein 0.0051 0.0083 0.114
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0012 0.0023
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0019 0.0036
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0093 0.0093
Brugia malayi Melibiase family protein 0.007 0.0122 0.0122
Mycobacterium tuberculosis Conserved protein 0.0037 0.0053 0.0885
Loa Loa (eye worm) hypothetical protein 0.0026 0.003 0.003
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0053 0.0885
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0059 0.0258
Echinococcus granulosus bloom syndrome protein 0.0021 0.0019 0.0269
Schistosoma mansoni hypothetical protein 0.0025 0.0028 0.0383
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0184 0.2537
Schistosoma mansoni hypothetical protein 0.0068 0.0118 0.163
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0105 0.0196 0.0361
Loa Loa (eye worm) beta-lactamase 0.0037 0.0053 0.0053
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.0184 0.0184
Echinococcus multilocularis lamin 0.0056 0.0093 0.0172
Brugia malayi intermediate filament protein 0.0056 0.0093 0.0093
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Schistosoma mansoni hypothetical protein 0.0356 0.0724 1
Echinococcus granulosus intermediate filament protein 0.0056 0.0093 0.1288
Schistosoma mansoni intermediate filament proteins 0.0056 0.0093 0.1288
Loa Loa (eye worm) hypothetical protein 0.0129 0.0247 0.0247
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0053 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0053 0.0885
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0039 0.0039
Toxoplasma gondii melibiase subfamily protein 0.0105 0.0196 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0238 0.0238
Toxoplasma gondii Alpha-galactosidase 0.0015 0.0007 0.034
Echinococcus multilocularis musashi 0.0056 0.0093 0.0172
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0012 0.1346
Trichomonas vaginalis glucosylceramidase, putative 0.0385 0.0785 0.6849
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.047 1
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0019 0.017
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0019 0.0996
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0023 0.0028
Toxoplasma gondii exonuclease III APE 0.0023 0.0023 0.1189
Entamoeba histolytica hypothetical protein 0.0076 0.0134 1
Onchocerca volvulus Huntingtin homolog 0.0129 0.0247 0.2935
Mycobacterium ulcerans hypothetical protein 0.0037 0.0053 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0053 0.0461
Loa Loa (eye worm) RNA binding protein 0.0076 0.0136 0.0136
Echinococcus granulosus chromobox protein 1 0.0071 0.0125 0.1728
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0092 0.0204
Schistosoma mansoni chromobox protein 0.0071 0.0125 0.1728
Echinococcus multilocularis chromobox protein 1 0.0071 0.0125 0.0231
Echinococcus multilocularis lamin dm0 0.0056 0.0093 0.0172
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0092 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0092 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.0019 0.0036
Loa Loa (eye worm) RecQ helicase 0.0021 0.0019 0.0019
Brugia malayi Heterochromatin protein 1 0.0071 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0021 0.0019 0.0019
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0012 0.0012
Echinococcus granulosus lamin dm0 0.0056 0.0093 0.1288
Trichomonas vaginalis esterase, putative 0.0037 0.0053 0.0461
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0053 0.0104
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0092 0.0204
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.0122 0.1688
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0196 0.27
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0023 0.253
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0184 0.2537
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.05 0.0925
Loa Loa (eye worm) hypothetical protein 0.004 0.0059 0.0059
Brugia malayi TAR-binding protein 0.0076 0.0136 0.0136
Schistosoma mansoni DNA helicase recq1 0.0021 0.0019 0.0269
Schistosoma mansoni hypothetical protein 0.0146 0.0283 0.3914
Leishmania major malonyl-coa decarboxylase-like protein 0.1874 0.3914 1
Loa Loa (eye worm) hypothetical protein 0.025 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.0031 0.0041 0.0041
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0066 0.0574
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0028 0.0383
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0019 0.017
Entamoeba histolytica hypothetical protein 0.0076 0.0134 1
Echinococcus granulosus survival motor neuron protein 1 0.025 0.05 0.6908
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0105 0.0196 0.0361
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0557 0.1146 0.1146
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Schistosoma mansoni ap endonuclease 0.0023 0.0023 0.0321
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0053
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0136 0.0136
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0134 0.1857
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0136 0.0136
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.4769 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0134 0.1857
Echinococcus multilocularis chromobox protein 1 0.0071 0.0125 0.0231
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0118 0.0118
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0083 0.0083
Brugia malayi beta-lactamase family protein 0.0037 0.0053 0.0053
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0012 0.0171
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0037 0.0053 0.0053
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0019 0.212
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0125 0.1092
Schistosoma mansoni hypothetical protein 0.0068 0.0118 0.163
Trichomonas vaginalis glucosylceramidase, putative 0.0557 0.1146 1
Schistosoma mansoni lamin 0.0056 0.0093 0.1288
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0053 0.0098
Leishmania major hypothetical protein, conserved 0.0055 0.0092 0.0204
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0557 0.1146 0.1146
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.0019 0.0019
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0184 0.2537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0184 0.034
Brugia malayi MH2 domain containing protein 0.0125 0.0238 0.0238
Toxoplasma gondii ABC1 family protein 0.0037 0.0053 0.2703
Brugia malayi chromobox protein homolog 3 0.004 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0068 0.0118 0.163
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0196 0.27
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0053 0.575
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0136 0.1883
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0019 0.0018
Schistosoma mansoni ap endonuclease 0.0023 0.0023 0.0321
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0053 0.0461
Brugia malayi hypothetical protein 0.0055 0.0092 0.0092
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0053 0.073
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1874 0.3914 1
Brugia malayi RNA binding protein 0.0076 0.0136 0.0136
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.0019 0.0996
Brugia malayi hypothetical protein 0.025 0.05 0.05
Onchocerca volvulus Huntingtin homolog 0.0129 0.0247 0.2935
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0053 0.0461
Echinococcus multilocularis GPCR, family 2 0.0068 0.0118 0.0218
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.0019 0.0018
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0012 0.0023
Echinococcus multilocularis geminin 0.0356 0.0724 0.1339
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0184 0.034
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0105 0.0196 0.27
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0125 0.0125
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0012 0.0012
Mycobacterium ulcerans lipase LipD 0.0037 0.0053 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0136 0.0252
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0023 0.0043
Mycobacterium tuberculosis Conserved protein 0.0037 0.0053 0.0885
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0023 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.0557 0.1146 1
Echinococcus granulosus geminin 0.0356 0.0724 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0053 0.0461
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0118 0.0218
Mycobacterium ulcerans beta-lactamase 0.0037 0.0053 1
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0146 0.0283 0.0283
Schistosoma mansoni lamin 0.0056 0.0093 0.1288
Onchocerca volvulus 0.0037 0.0053 0.0165
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0012 0.0023
Onchocerca volvulus Glucosylceramidase homolog 0.0365 0.0743 1
Onchocerca volvulus 0.0056 0.0093 0.0741
Echinococcus granulosus lamin 0.0056 0.0093 0.1288
Trichomonas vaginalis glucosylceramidase, putative 0.0557 0.1146 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0196 0.27
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1874 0.3914 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0028 0.0051
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0015 0.0007 0.0092
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0023 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.0557 0.1146 1
Schistosoma mansoni hypothetical protein 0.0076 0.0134 0.1857
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0134 0.0249
Loa Loa (eye worm) hypothetical protein 0.0055 0.0091 0.0091
Mycobacterium leprae Probable lipase LipE 0.0037 0.0053 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0136 0.1883
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0023 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0023 0.0238
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0053 0.0885
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0214 0.0426 0.0426
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0023 0.0321
Brugia malayi beta-lactamase family protein 0.0037 0.0053 0.0053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0184 0.2537
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0053 0.0885
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0053 0.0885
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0023 0.0203
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0023 0.0203
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0023 0.0028
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Entamoeba histolytica hypothetical protein 0.0076 0.0134 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0053 0.0461
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.0019 0.0036
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0092 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0019 0.0019
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0092 0.0204
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0032 0.006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0184 0.2537
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0035 0.0305
Brugia malayi hypothetical protein 0.0036 0.0051 0.0051
Trichomonas vaginalis glucosylceramidase, putative 0.0385 0.0785 0.6849
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0039 0.0039
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0118 0.0218
Trichomonas vaginalis glucosylceramidase, putative 0.0365 0.0743 0.6488
Schistosoma mansoni chromobox protein 0.0071 0.0125 0.1728
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0136 0.1883
Schistosoma mansoni hypothetical protein 0.0356 0.0724 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0012 0.0171
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0053 0.0104
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0053 0.0053
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0032 0.0447
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0053 0.073
Echinococcus granulosus GPCR family 2 0.0068 0.0118 0.163
Trichomonas vaginalis glucosylceramidase, putative 0.0557 0.1146 1
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0125 0.1092
Onchocerca volvulus 0.0056 0.0093 0.0741
Loa Loa (eye worm) hypothetical protein 0.0068 0.0118 0.0118
Onchocerca volvulus 0.0051 0.0083 0.0588
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0118 0.0118
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0023 0.1729
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0118 0.163
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0035 0.0305
Brugia malayi beta-lactamase 0.0037 0.0053 0.0053
Echinococcus granulosus chromobox protein 1 0.0071 0.0125 0.1728

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS 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) 100 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.