Detailed information for compound 791632

Basic information

Technical information
  • TDR Targets ID: 791632
  • Name: 2-[3-(4-fluorophenyl)-2,4-dioxothieno[2,3-e]p yrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]a cetamide
  • MW: 463.405 | Formula: C21H13F4N3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1c(=O)c2sccc2n(c1=O)CC(=O)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C21H13F4N3O3S/c22-13-4-6-15(7-5-13)28-19(30)18-16(8-9-32-18)27(20(28)31)11-17(29)26-14-3-1-2-12(10-14)21(23,24)25/h1-10H,11H2,(H,26,29)
  • InChiKey: NMUPLUOZAISHBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(4-fluorophenyl)-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
  • 2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[2,3-e]pyrimidinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
  • 2-[3-(4-fluorophenyl)-2,4-diketo-thieno[2,3-e]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
  • 2-[3-(4-fluorophenyl)-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide
  • C241-1171
  • NCGC00105971-01
  • EU-0090791

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0361 0.0963
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0361 0.6226
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0361 0.0347
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0361 0.6226
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0069 0.0088
Loa Loa (eye worm) hypothetical protein 0.0043 0.0361 0.0655
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.0817 0.1544
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0759 0.2505
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9734 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9734 0.9733
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Mycobacterium tuberculosis Conserved protein 0.0043 0.0361 0.0963
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0361 0.0963
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.025 0.282 1
Schistosoma mansoni hypothetical protein 0.0038 0.03 0.0284
Plasmodium falciparum histone acetyltransferase GCN5 0.0121 0.1285 0.4419
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0759 0.2505
Brugia malayi Peroxidasin 0.0026 0.0161 0.0265
Brugia malayi Erv1 / Alr family protein 0.004 0.0326 0.0588
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.037 0.0346
Mycobacterium ulcerans hypothetical protein 0.0043 0.0361 0.6226
Echinococcus granulosus geminin 0.0368 0.4223 0.4324
Onchocerca volvulus 0.0043 0.0361 0.1808
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0124 0.1326 0.1341
Echinococcus multilocularis muscleblind protein 0.0148 0.1606 0.1585
Plasmodium vivax hypothetical protein, conserved 0.004 0.0326 0.1157
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.007 0.0089
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1606 0.1585
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0639 0.0633
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.03 0.0537
Schistosoma mansoni cpg binding protein 0.0062 0.0588 0.0581
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0917 0.1737
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0119 0.1263 0.2411
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0012 0.0059
Echinococcus granulosus GPCR family 2 0.0038 0.03 0.0284
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1564 0.2997
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0917 0.0895
Brugia malayi RNA binding protein 0.0066 0.0639 0.1197
Schistosoma mansoni hypothetical protein 0.0081 0.0817 0.0817
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0161 0.0265
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0639 0.0633
Echinococcus multilocularis peroxidasin 0.0026 0.0161 0.0137
Onchocerca volvulus 0.0048 0.0428 0.2418
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0428 0.0787
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.025 0.282 1
Leishmania major hypothetical protein, conserved 0.0043 0.0361 0.1057
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0027 0.0003
Echinococcus granulosus peroxidasin 0.0026 0.0161 0.014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0917 0.0919
Schistosoma mansoni ap endonuclease 0.0018 0.007 0.0047
Loa Loa (eye worm) hypothetical protein 0.0148 0.1606 0.3079
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0537 0.1698
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.03 0.0284
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0027 0.0003
Onchocerca volvulus 0.0043 0.0361 0.1808
Onchocerca volvulus 0.0043 0.0361 0.1808
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0588
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.025 0.282 1
Echinococcus granulosus dnaJ subfamily B 0.0432 0.4972 0.5096
Toxoplasma gondii histone lysine methyltransferase SET1 0.0122 0.1299 0.447
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0917 0.0919
Brugia malayi CXXC zinc finger family protein 0.0059 0.0549 0.1021
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0361 0.128
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0361 0.1057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0639 0.1197
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0161 0.0265
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0161 0.0265
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0012 0.0059
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0161 0.0265
Loa Loa (eye worm) hypothetical protein 0.0119 0.1268 0.2422
Onchocerca volvulus Sulfhydryl oxidase homolog 0.004 0.0326 0.1495
Entamoeba histolytica hypothetical protein 0.0043 0.037 0.2466
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0161 0.0265
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0361 0.1057
Brugia malayi acetyltransferase, GNAT family protein 0.0448 0.5161 1
Echinococcus granulosus tar DNA binding protein 0.0066 0.0639 0.0633
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0361 0.0963
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0448 0.5161 0.5149
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0361 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0012 0.0059
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0361 0.0963
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0361 0.2531
Onchocerca volvulus Huntingtin homolog 0.0119 0.1268 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0361 0.0963
Echinococcus granulosus neuropeptide s receptor 0.045 0.519 0.5321
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0537 0.0528
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0161 0.0265
Toxoplasma gondii Erv1 / Alr family protein 0.025 0.282 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.1268 1
Schistosoma mansoni peroxidasin 0.0026 0.0161 0.014
Loa Loa (eye worm) beta-lactamase 0.0043 0.0361 0.0655
Giardia lamblia Histone acetyltransferase GCN5 0.0121 0.1285 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0817 0.1544
Echinococcus multilocularis cpg binding protein 0.0062 0.0588 0.0565
Echinococcus granulosus neuropeptide receptor A26 0.045 0.519 0.5321
Brugia malayi Augmenter of liver regeneration 0.025 0.282 0.5442
Mycobacterium ulcerans lipase LipD 0.0043 0.0361 0.6226
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0639 0.0633
Schistosoma mansoni hypothetical protein 0.0034 0.026 0.0243
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0917 0.0895
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Brugia malayi hypothetical protein 0.0076 0.0759 0.143
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0132 0.1415 0.4892
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0361 0.0347
Brugia malayi hypothetical protein 0.0119 0.1268 0.2422
Loa Loa (eye worm) hypothetical protein 0.0043 0.0361 0.0655
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Echinococcus multilocularis sulfhydryl oxidase 1 0.004 0.0326 0.0303
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0161 0.0265
Schistosoma mansoni hypothetical protein 0.0038 0.03 0.0284
Echinococcus multilocularis geminin 0.0368 0.4223 0.4209
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0361 0.2531
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0012 0.0059
Onchocerca volvulus 0.0059 0.0549 0.3503
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0917 0.0919
Echinococcus multilocularis GPCR, family 2 0.0038 0.03 0.0277
Schistosoma mansoni cpg binding protein 0.0059 0.0549 0.054
Mycobacterium tuberculosis Conserved protein 0.0043 0.0361 0.0963
Brugia malayi hypothetical protein 0.0026 0.0161 0.0265
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0161 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0917 0.0919
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Echinococcus granulosus histone acetyltransferase KAT2B 0.0435 0.5012 0.5137
Loa Loa (eye worm) RNA binding protein 0.0066 0.0639 0.1197
Schistosoma mansoni hypothetical protein 0.0043 0.037 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Brugia malayi Latrophilin receptor protein 2 0.0038 0.03 0.0537
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0759 0.2505
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.025 0.282 0.2879
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.007 0.0089
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0132 0.1415 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0361 0.0963
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0132 0.1415 0.4892
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0161 0.0265
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0639 0.0616
Entamoeba histolytica hypothetical protein 0.0043 0.037 0.2466
Brugia malayi Calcitonin receptor-like protein seb-1 0.0119 0.1263 0.2411
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0027 0.0003
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.0759 0.2505
Echinococcus granulosus cpg binding protein 0.0062 0.0588 0.0581
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.03 0.0284
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2667 0.2649
Brugia malayi hypothetical protein 0.0237 0.2667 0.5145
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0448 0.5161 0.5291
Loa Loa (eye worm) hypothetical protein 0.0119 0.1268 0.2422
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0361 0.2531
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0361 0.1057
Schistosoma mansoni hypothetical protein 0.0368 0.4223 0.4324
Schistosoma mansoni hypothetical protein 0.0038 0.03 0.0284
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0537 0.1547
Brugia malayi beta-lactamase 0.0043 0.0361 0.0655
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.007 0.0472
Schistosoma mansoni quiescin q6-related sulfhydryl oxidase 0.004 0.0326 0.0311
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0537 0.0514
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0012 0.0059
Brugia malayi TAR-binding protein 0.0066 0.0639 0.1197
Toxoplasma gondii Erv1 / Alr family protein 0.025 0.282 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1564 0.2997
Loa Loa (eye worm) hypothetical protein 0.0148 0.1606 0.3079
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0273 0.3088 1
Schistosoma mansoni cpg binding protein 0.0062 0.0588 0.0581
Mycobacterium tuberculosis Conserved protein 0.0043 0.0361 0.0963
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9734 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0069 0.0046
Echinococcus multilocularis neuropeptide s receptor 0.045 0.519 0.5178
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0361 0.0337
Onchocerca volvulus Sulfhydryl oxidase homolog 0.004 0.0326 0.1495
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0161 0.0265
Loa Loa (eye worm) hypothetical protein 0.0038 0.03 0.0537
Leishmania major hypothetical protein, conserved 0.025 0.282 1
Schistosoma mansoni hypothetical protein 0.0432 0.4972 0.5096
Schistosoma mansoni hypothetical protein 0.0048 0.0428 0.0416
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.026 0.0237
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.037 0.0356
Brugia malayi beta-lactamase family protein 0.0043 0.0361 0.0655
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.037 0.0356
Loa Loa (eye worm) hypothetical protein 0.0237 0.2667 0.5145
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0012 0.0059
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0537 0.0998
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.007 0.5
Leishmania major hypothetical protein, conserved 0.0076 0.0759 0.2505
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0361 0.0655
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.0759 0.2505
Schistosoma mansoni survival motor neuron protein 0.0048 0.0428 0.0416
Brugia malayi MH2 domain containing protein 0.0144 0.1564 0.2997
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0012 0.0059
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0639 0.0633
Brugia malayi quiescin Q6 0.004 0.0326 0.0588
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0119 0.1263 0.2411
Trypanosoma brucei quiescin sulfhydryl oxidase 0.004 0.0326 0.0931
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0361 0.0655
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.03 0.0537
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0639 0.1197
Brugia malayi beta-lactamase family protein 0.0043 0.0361 0.0655
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Loa Loa (eye worm) hepatopoietin HPO2 0.025 0.282 0.5442
Schistosoma mansoni peroxidasin 0.0026 0.0161 0.014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0012 0.0059
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.03 0.0277
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0361 0.2531
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.025 0.282 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0121 0.1285 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0361 0.0963
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0639 0.1197
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0069 0.0045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0917 0.0919
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.025 0.282 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0361 0.1057
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.007 0.0472
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.004 0.0326 0.0931
Toxoplasma gondii Erv1 / Alr family protein 0.004 0.0326 0.0931
Trichomonas vaginalis bromodomain-containing protein, putative 0.0132 0.1415 1
Onchocerca volvulus Sulfhydryl oxidase homolog 0.004 0.0326 0.1495
Schistosoma mansoni hypothetical protein 0.0368 0.4223 0.4324
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Brugia malayi hypothetical protein 0.0049 0.0439 0.0806
Brugia malayi hypothetical protein 0.0043 0.037 0.0673
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0639 0.0633
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.519 0.5178
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2667 0.2722
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.007 0.0047
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.03 0.0277
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.007 0.0046
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0067 0.0082
Loa Loa (eye worm) hypothetical protein 0.004 0.0326 0.0588
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0027 0.0003
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0132 0.1415 0.5019
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.007 0.0249
Echinococcus granulosus sulfhydryl oxidase 1 0.004 0.0326 0.0311
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0549 0.1021
Loa Loa (eye worm) Erv1/Alr family protein 0.004 0.0326 0.0588
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0917 0.1737
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0537 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0361 0.6226
Echinococcus granulosus muscleblind protein 0.0148 0.1606 0.1629
Echinococcus multilocularis dnaJ subfamily B 0.0432 0.4972 0.496
Loa Loa (eye worm) hypothetical protein 0.0043 0.0361 0.0655
Brugia malayi Blistered cuticle protein 3 0.0026 0.0161 0.0265
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0361 0.2531
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0537 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0759 0.143
Loa Loa (eye worm) hypothetical protein 0.0043 0.0361 0.0655
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.004 0.0326 0.0931
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0027 0.0003
Trypanosoma cruzi quiescin sulfhydryl oxidase, putative 0.004 0.0326 0.0931
Loa Loa (eye worm) quiescin Q6 0.004 0.0326 0.0588
Entamoeba histolytica hypothetical protein 0.0043 0.037 0.2466
Mycobacterium leprae Probable lipase LipE 0.0043 0.0361 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0012 0.0059
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0491 0.0909
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0361 0.0347
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0759 0.2505
Loa Loa (eye worm) hypothetical protein 0.0119 0.1263 0.2411
Schistosoma mansoni hypothetical protein 0.0038 0.03 0.0284
Loa Loa (eye worm) hypothetical protein 0.0043 0.0361 0.0655
Loa Loa (eye worm) hypothetical protein 0.0043 0.0361 0.0655
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.025 0.282 0.2802
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.026 0.0243
Schistosoma mansoni ap endonuclease 0.0018 0.007 0.0047
Entamoeba histolytica hypothetical protein 0.0043 0.037 0.2466
Trichomonas vaginalis esterase, putative 0.0043 0.0361 0.2531
Trichomonas vaginalis helicase, putative 0.0013 0.0012 0.0059
Loa Loa (eye worm) hypothetical protein 0.0026 0.0161 0.0265
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.025 0.282 1
Loa Loa (eye worm) acetyltransferase 0.0448 0.5161 1
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.0759 0.2692
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0537 0.0528
Echinococcus granulosus histone acetyltransferase KAT2B 0.0132 0.1415 0.1433
Brugia malayi Muscleblind-like protein 0.0148 0.1606 0.3079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.3225 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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

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.

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