Detailed information for compound 1318575

Basic information

Technical information
  • TDR Targets ID: 1318575
  • Name: 1-(2-fluorophenyl)-4-[2-methoxy-5-(3-methyl-1 ,2-oxazol-5-yl)phenyl]sulfonylpiperazine
  • MW: 431.48 | Formula: C21H22FN3O4S
  • H donors: 0 H acceptors: 3 LogP: 3.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccccc1F)c1onc(c1)C
  • InChi: 1S/C21H22FN3O4S/c1-15-13-20(29-23-15)16-7-8-19(28-2)21(14-16)30(26,27)25-11-9-24(10-12-25)18-6-4-3-5-17(18)22/h3-8,13-14H,9-12H2,1-2H3
  • InChiKey: BTKMDQIZVOPCLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-fluorophenyl)-4-[2-methoxy-5-(3-methylisoxazol-5-yl)phenyl]sulfonyl-piperazine
  • 1-(2-fluorophenyl)-4-[2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl]sulfonylpiperazine
  • 1-(2-fluorophenyl)-4-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-piperazine
  • G008-1393
  • NCGC00128012-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis ap endonuclease, 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii putative AP endonuclease-related 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
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 ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-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
Echinococcus multilocularis 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi 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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium falciparum 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Theileria parva hypothetical protein 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 congolense apurinic/apyrimidinic endonuclease, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum apurinic/apyrimidinic endonuclease-redox 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum hypothetical 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0508 0.0508
Brugia malayi mothers against decapentaplegic homolog 3 0.0022 0.0174 0.0199
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0009 0.0009
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0055 0.0572 0.0398
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0316 0.0316
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0057 0.0065
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.018 0.0445
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.018 0.3454
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0316 0.0316
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0316 0.1715
Loa Loa (eye worm) hypothetical protein 0.037 0.4391 0.5016
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0508 0.0508
Toxoplasma gondii exonuclease III APE 0.0023 0.018 0.0361
Brugia malayi Smad1 0.005 0.0508 0.058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0574 0.0574
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0013 0.0057 0.0057
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0521 0.2341
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0044 0.0443 0.0749
Schistosoma mansoni smad 0.005 0.0508 0.0508
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0342 0.4046 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.018 0.0978
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.018 0.0488
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0057 0.0057
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0521 0.2832
Schistosoma mansoni hypothetical protein 0.0117 0.1324 0.1324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0574 0.0574
Schistosoma mansoni tar DNA-binding protein 0.0315 0.3719 0.3719
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0315 0.3719 0.4249
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0057 0.0057
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0044 0.0443 0.1582
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Brugia malayi RNA binding protein 0.0315 0.3719 0.4249
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0018 0.0118 0.0135
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0044 0.0443 0.0506
Loa Loa (eye worm) latrophilin receptor protein 2 0.0117 0.1324 0.1513
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.018 0.3454
Brugia malayi hypothetical protein 0.0018 0.0118 0.0135
Loa Loa (eye worm) hypothetical protein 0.0022 0.0174 0.0199
Onchocerca volvulus 0.0018 0.0118 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Entamoeba histolytica hypothetical protein 0.0097 0.1083 0.2677
Loa Loa (eye worm) TAR-binding protein 0.0315 0.3719 0.4249
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.018 0.0978
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0325 0.0371
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0316 0.6057
Brugia malayi MH2 domain containing protein 0.0022 0.0174 0.0199
Echinococcus granulosus GPCR family 2 0.0117 0.1324 0.1324
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0118 0.0118
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0118 0.0118
Trichomonas vaginalis glutaminase, putative 0.0289 0.341 0.9246
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 0.4734
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0316 0.1715
Loa Loa (eye worm) hypothetical protein 0.0028 0.0238 0.0272
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0431 0.0431
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.016 0.1841 1
Loa Loa (eye worm) hypothetical protein 0.0357 0.4231 0.4834
Echinococcus granulosus ras GTP exchange factor 0.0013 0.0057 0.0057
Echinococcus multilocularis mothers against decapentaplegic 6 0.0022 0.0174 0.0174
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5889 0.5889
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0118 0.0118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0574 0.0574
Echinococcus granulosus Aminotransferase class III 0.0044 0.0443 0.0443
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0013 0.0057 0.0057
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0117 0.1324 0.1513
Brugia malayi Calcitonin receptor-like protein seb-1 0.037 0.4391 0.5016
Schistosoma mansoni hypothetical protein 0.0117 0.1324 0.1324
Schistosoma mansoni glutaminase 0.0289 0.341 0.341
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Brugia malayi RNA recognition motif domain containing protein 0.0315 0.3719 0.4249
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0316 0.0316
Echinococcus multilocularis smad 0.005 0.0508 0.0508
Echinococcus multilocularis Smad4 0.005 0.0508 0.0508
Brugia malayi MH1 domain containing protein 0.005 0.0508 0.058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.037 0.4391 0.5016
Schistosoma mansoni tar DNA-binding protein 0.0315 0.3719 0.3719
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0009 0.0009
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0118 0.0135
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0316 0.6057
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0521 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.018 0.0206
Schistosoma mansoni tar DNA-binding protein 0.0315 0.3719 0.3719
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.016 0.1841 0.1841
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Schistosoma mansoni tar DNA-binding protein 0.0315 0.3719 0.3719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0574 0.0574
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0057 0.0057
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0118 0.0118
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0316 0.0316
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0105 0.1174 0.2833
Entamoeba histolytica hypothetical protein 0.0043 0.0431 0.1066
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0118 0.0118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0013 0.0057 0.0065
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.018 0.0488
Loa Loa (eye worm) RNA binding protein 0.0315 0.3719 0.4249
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.016 0.1841 0.4308
Schistosoma mansoni smad1 5 8 and 0.005 0.0508 0.0508
Schistosoma mansoni tar DNA-binding protein 0.0315 0.3719 0.3719
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Echinococcus multilocularis son of sevenless 1 0.0013 0.0057 0.0057
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0181 0.0181
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.1841 1
Entamoeba histolytica hypothetical protein 0.0043 0.0431 0.1066
Loa Loa (eye worm) hypothetical protein 0.0117 0.1324 0.1513
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0117 0.1324 0.1324
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.018 0.3454
Brugia malayi Probable ClpP-like protease 0.016 0.1841 0.2103
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0508 0.0508
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.018 0.3454
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0044 0.0443 0.0749
Schistosoma mansoni ap endonuclease 0.0023 0.018 0.018
Trypanosoma cruzi hypothetical protein 0.0013 0.0057 0.1088
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0118 0.0118
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5889 0.5889
Schistosoma mansoni dep domain containing protein 0.0018 0.0118 0.0118
Schistosoma mansoni cpg binding protein 0.0037 0.0349 0.0349
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0521 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0357 0.4231 1
Schistosoma mansoni Smad4 0.005 0.0508 0.0508
Loa Loa (eye worm) nuclear factor I 0.0028 0.0238 0.0272
Schistosoma mansoni smad1 5 8 and 0.005 0.0508 0.0508
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0055 0.0572 0.3107
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0044 0.0443 0.0749
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0117 0.1324 0.1324
Schistosoma mansoni hypothetical protein 0.0494 0.5889 0.5889
Schistosoma mansoni dishevelled 0.0018 0.0118 0.0118
Brugia malayi Latrophilin receptor protein 2 0.0117 0.1324 0.1513
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0117 0.1324 0.1324
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0574 0.0656
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0574 0.0574
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0325 0.0371
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0044 0.0443 0.0749
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Echinococcus granulosus Smad4 0.005 0.0508 0.0508
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Plasmodium vivax ornithine aminotransferase, putative 0.0044 0.0443 0.2405
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.018 0.018
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0312 0.3688 1
Loa Loa (eye worm) transcription factor SMAD2 0.073 0.8753 1
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0118 0.0118
Loa Loa (eye worm) MH1 domain-containing protein 0.0022 0.0174 0.0199
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Echinococcus granulosus tar DNA binding protein 0.0315 0.3719 0.3719
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0118 0.0135
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0105 0.1174 0.2833
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0312 0.3688 1
Loa Loa (eye worm) hypothetical protein 0.016 0.1841 0.2103
Brugia malayi N-terminal motif family protein 0.0357 0.4231 0.4834
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0055 0.0572 0.3107
Echinococcus granulosus cpg binding protein 0.0037 0.0349 0.0349
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0118 0.0135
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0035 0.0035
Brugia malayi N-terminal motif family protein 0.0013 0.0057 0.0065
Mycobacterium ulcerans glutaminase 0.0289 0.341 0.9207
Brugia malayi MH2 domain containing protein 0.005 0.0508 0.058
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.016 0.1841 1
Brugia malayi hypothetical protein 0.0051 0.0521 0.0595
Brugia malayi hypothetical protein 0.0033 0.0303 0.0346
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0044 0.0443 0.0749
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.018 0.0206
Brugia malayi RasGEF domain containing protein 0.0013 0.0057 0.0065
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0118 0.0135
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0701 0.3384
Schistosoma mansoni hypothetical protein 0.0043 0.0431 0.0431
Mycobacterium ulcerans hypothetical protein 0.0312 0.3688 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0044 0.0443 0.0749
Echinococcus multilocularis ornithine aminotransferase 0.0044 0.0443 0.0443
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0574 0.0656
Brugia malayi hypothetical protein 0.0018 0.0118 0.0135
Schistosoma mansoni ras GTP exchange factor 0.0013 0.0057 0.0057
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0118 0.0118
Echinococcus multilocularis ras GTP exchange factor 0.0013 0.0057 0.0057
Trichomonas vaginalis ras GTP exchange factor, putative 0.0013 0.0057 0.0153
Loa Loa (eye worm) hypothetical protein 0.0018 0.0118 0.0135
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.018 0.018
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0316 0.0361
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0796 0.0796
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0057 0.0065
Toxoplasma gondii hypothetical protein 0.0055 0.0572 0.2635
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0508 0.058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0574 0.0574
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0055 0.0572 0.2359
Mycobacterium ulcerans acetylornithine aminotransferase 0.0044 0.0443 0.0749
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.016 0.1841 0.1841
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0057 0.0065
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0013 0.0057 0.0057
Entamoeba histolytica hypothetical protein 0.0013 0.0057 0.014
Loa Loa (eye worm) Smad1 0.005 0.0508 0.058
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0013 0.0057 0.0057
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0118 0.0118
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0312 0.3688 1
Giardia lamblia DNA repair protein RAD52 0.0342 0.4046 1
Brugia malayi glutaminase DH11.1 0.0289 0.341 0.3895
Echinococcus granulosus peptidase Clp S14 family 0.0105 0.1174 0.1174
Brugia malayi DIX domain containing protein 0.0018 0.0118 0.0135
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0022 0.0174 0.0282
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0044 0.0443 0.0749
Loa Loa (eye worm) hypothetical protein 0.0013 0.0057 0.0065
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0316 0.0361
Entamoeba histolytica hypothetical protein 0.0043 0.0431 0.1066
Brugia malayi latrophilin 2 splice variant baaae 0.0253 0.2971 0.3395
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0009 0.0009
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0508 0.058
Schistosoma mansoni ap endonuclease 0.0023 0.018 0.018
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 1
Schistosoma mansoni smad 0.0022 0.0174 0.0174
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0118 0.0118
Entamoeba histolytica hypothetical protein 0.0043 0.0431 0.1066
Schistosoma mansoni peptidase Clp (S14 family) 0.016 0.1841 0.1841
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0508 0.0508
Echinococcus multilocularis tar DNA binding protein 0.0315 0.3719 0.3719
Schistosoma mansoni hypothetical protein 0.0117 0.1324 0.1324
Schistosoma mansoni smad1 5 8 and 0.005 0.0508 0.0508
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.0508 0.0508
Brugia malayi MH1 domain containing protein 0.0028 0.0238 0.0272
Brugia malayi TAR-binding protein 0.0315 0.3719 0.4249
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0013 0.0057 0.0153
Echinococcus multilocularis Aminotransferase class III 0.0044 0.0443 0.0443
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0044 0.0443 0.0749
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0118 0.0118
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0013 0.0057 0.0153
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0316 0.0316
Leishmania major hypothetical protein, conserved 0.0051 0.0521 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0022 0.0174 0.0174
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0316 0.0316
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0105 0.1174 0.2253
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0316 0.1149
Echinococcus granulosus Protein son of sevenless 0.0013 0.0057 0.0057
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0118 0.0118
Loa Loa (eye worm) glutaminase 2 0.0289 0.341 0.3895
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0316 0.6057
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0431 0.0431
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0118 0.0118
Brugia malayi N-terminal motif family protein 0.0013 0.0057 0.0065
Echinococcus multilocularis cpg binding protein 0.0037 0.0349 0.0349
Schistosoma mansoni Smad4 0.0022 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0018 0.0118 0.0135
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0035 0.004
Echinococcus granulosus smad 0.005 0.0508 0.0508
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Echinococcus granulosus son of sevenless 1 0.0013 0.0057 0.0057
Loa Loa (eye worm) pigment dispersing factor receptor c 0.037 0.4391 0.5016
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0316 0.1149
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0044 0.0443 0.0749
Brugia malayi MH2 domain containing protein 0.005 0.0508 0.058
Plasmodium falciparum ornithine aminotransferase 0.0044 0.0443 0.2405
Brugia malayi MH1 domain containing protein 0.005 0.0508 0.058
Brugia malayi hypothetical protein 0.0043 0.0431 0.0493
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0009 0.0009
Echinococcus multilocularis peptidase Clp (S14 family) 0.0105 0.1174 0.1174
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0035 0.0035
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0013 0.0057 0.0057
Brugia malayi isocitrate dehydrogenase 0.0034 0.0316 0.0361
Brugia malayi RasGEF domain containing protein 0.0013 0.0057 0.0065
Mycobacterium tuberculosis Probable aminotransferase 0.0312 0.3688 1
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0118 0.0135
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0117 0.1324 0.1324
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0009 0.0009
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.1083 0.2677
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0521 0.2832
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0431 0.0431
Schistosoma mansoni dishevelled 0.0018 0.0118 0.0118
Echinococcus granulosus mothers against decapentaplegic 2 0.0022 0.0174 0.0174
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 0.4734
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0013 0.0057 0.014
Schistosoma mansoni Smad4 0.0022 0.0174 0.0174
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0044 0.0443 0.1886
Echinococcus multilocularis GPCR, family 2 0.0117 0.1324 0.1324
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0521 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0018 0.0118 0.0146
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.016 0.1841 1
Schistosoma mansoni cpg binding protein 0.0037 0.0349 0.0349
Brugia malayi MH2 domain containing protein 0.073 0.8753 1
Loa Loa (eye worm) MH2 domain-containing protein 0.073 0.8753 1
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0013 0.0057 0.1088
Loa Loa (eye worm) hypothetical protein 0.0253 0.2971 0.3395
Loa Loa (eye worm) glutaminase 0.0289 0.341 0.3895
Echinococcus multilocularis ornithine aminotransferase 0.0044 0.0443 0.0443
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0316 0.6057
Schistosoma mansoni hypothetical protein 0.0117 0.1324 0.1324
Loa Loa (eye worm) MH2 domain-containing protein 0.0022 0.0174 0.0199
Loa Loa (eye worm) hypothetical protein 0.0051 0.0521 0.0595
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0316 0.0387
Brugia malayi MH1 domain containing protein 0.0028 0.0238 0.0272
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0012 0.0049 0.0049
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0044 0.0443 0.0443
Onchocerca volvulus 0.0035 0.0325 0.0643
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0316 0.6057
Echinococcus granulosus ornithine aminotransferase 0.0044 0.0443 0.0443
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0033 0.0038
Trichomonas vaginalis ras GTP exchange factor, putative 0.0013 0.0057 0.0153
Schistosoma mansoni hypothetical protein 0.0023 0.0181 0.0181
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0316 0.0316
Echinococcus multilocularis mothers against decapentaplegic 2 0.0022 0.0174 0.0174
Schistosoma mansoni cpg binding protein 0.0035 0.0325 0.0325
Brugia malayi RasGEF domain containing protein 0.0013 0.0057 0.0065
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0312 0.3688 1
Trypanosoma cruzi hypothetical protein 0.0013 0.0057 0.1088
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0521 0.2832
Schistosoma mansoni hypothetical protein 0.0253 0.2971 0.2971
Echinococcus multilocularis Protein son of sevenless 0.0013 0.0057 0.0057

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2378 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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

No literature references available for this target.

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