Detailed information for compound 1409165

Basic information

Technical information
  • TDR Targets ID: 1409165
  • Name: 2-[6-(dimethylsulfamoyl)-3-oxo-1,4-benzothiaz in-4-yl]-N-(4-ethylphenyl)acetamide
  • MW: 433.544 | Formula: C20H23N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)CN1C(=O)CSc2c1cc(cc2)S(=O)(=O)N(C)C
  • InChi: 1S/C20H23N3O4S2/c1-4-14-5-7-15(8-6-14)21-19(24)12-23-17-11-16(29(26,27)22(2)3)9-10-18(17)28-13-20(23)25/h5-11H,4,12-13H2,1-3H3,(H,21,24)
  • InChiKey: HGVWDKMYPBMXJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[6-(dimethylsulfamoyl)-3-keto-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
  • 2-[6-(dimethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)ethanamide
  • G114-0456
  • NCGC00128583-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 D-aminoacylase, putative 0.0035 0.0381 0.0375
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0052 0.004
Wolbachia endosymbiont of Brugia malayi pyruvate phosphate dikinase 0.0324 0.4139 0.5
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0234 0.2973 0.2964
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.046 0.0448
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0052 0.004
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.0368 0.0356
Brugia malayi MH1 domain containing protein 0.001 0.0052 0.004
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.046 0.0448
Loa Loa (eye worm) hypothetical protein 0.054 0.6951 0.6947
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0368 0.0361
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0017 0.0149 0.0137
Echinococcus granulosus smad 0.001 0.0052 0.004
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.0368 0.0356
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0052 0.004
Schistosoma mansoni pyruvate kinase 0.0774 1 1
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0368 0.0356
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0124 0.0112
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0112
Schistosoma mansoni hypothetical protein 0.004 0.0441 0.0429
Leishmania major pyruvate kinase 0.0774 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0225 0.0213
Trypanosoma brucei pyruvate kinase 1 0.0774 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0052 0.004
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0124 0.0112
Loa Loa (eye worm) hypothetical protein 0.0041 0.046 0.0448
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0052 0.004
Echinococcus granulosus cpg binding protein 0.003 0.0309 0.0297
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0381 0.0369
Loa Loa (eye worm) hypothetical protein 0.0035 0.0381 0.0369
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0052 0.004
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0124 0.0112
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0124 0.0112
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0225 0.0306
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Schistosoma mansoni hypothetical protein 0.004 0.0441 0.0429
Schistosoma mansoni patched 1 0.0041 0.046 0.0448
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0381 0.0375
Echinococcus multilocularis pyruvate kinase 0.0611 0.7877 0.7875
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0052 0.004
Plasmodium falciparum pyruvate kinase 0.0774 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0225 0.0213
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0381 0.0381
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0381 0.0369
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0052 0.004
Brugia malayi RNA binding protein 0.0062 0.0728 0.0716
Brugia malayi CHE-14 protein 0.0041 0.046 0.0448
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0716
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0052 0.004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Schistosoma mansoni pyruvate kinase 0.0774 1 1
Schistosoma mansoni cpg binding protein 0.003 0.0309 0.0297
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0017 0.0149 0.0137
Loa Loa (eye worm) hypothetical protein 0.0774 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2843 0.2843
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0288 0.0276
Loa Loa (eye worm) hypothetical protein 0.0035 0.0381 0.0369
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0324 0.4139 0.4135
Loa Loa (eye worm) hypothetical protein 0.0023 0.0225 0.0213
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0149 0.0137
Echinococcus granulosus pyruvate kinase 0.0774 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0381 0.0381
Leishmania major hypothetical protein, conserved 0.0035 0.0381 0.0369
Brugia malayi pyruvate kinase 0.0163 0.2047 0.2037
Loa Loa (eye worm) hypothetical protein 0.0023 0.0225 0.0213
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0774 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0774 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0716
Trypanosoma cruzi pyruvate phosphate dikinase, putative 0.0324 0.4139 0.4131
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.0368 0.0356
Toxoplasma gondii NAC domain-containing protein 0.0034 0.0368 0.0356
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0012
Schistosoma mansoni smad 0.001 0.0052 0.004
Onchocerca volvulus 0.0035 0.0381 0.0369
Echinococcus multilocularis pyruvate kinase 0.0774 1 1
Schistosoma mansoni transcription factor btf3 0.0034 0.0368 0.0356
Schistosoma mansoni cpg binding protein 0.003 0.0309 0.0297
Brugia malayi beta-NAC-like protein 0.0034 0.0368 0.0356
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0381 0.0369
Schistosoma mansoni thyroid hormone receptor 0.001 0.0052 0.004
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.0368 0.0512
Onchocerca volvulus 0.0035 0.0381 0.0369
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0052 0.004
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.171 0.1699
Schistosoma mansoni smad1 5 8 and 0.001 0.0052 0.004
Leishmania major pyruvate phosphate dikinase, putative 0.0324 0.4139 0.4131
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.1193 0.1182
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0052 0.004
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0052 0.004
Brugia malayi Pyruvate kinase, M2 isozyme 0.0774 1 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0381 0.0369
Loa Loa (eye worm) hypothetical protein 0.0035 0.0381 0.0369
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.5115 0.5109
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0381 0.0381
Loa Loa (eye worm) pyruvate kinase-PB 0.054 0.6951 0.6947
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0149 0.0149
Echinococcus multilocularis protein patched 0.0041 0.046 0.0448
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0124 0.0112
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.171 0.1699
Brugia malayi MH2 domain containing protein 0.001 0.0052 0.004
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0052 0.004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0052 0.004
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0052 0.004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0052 0.004
Mycobacterium tuberculosis Conserved protein 0.0035 0.0381 0.0381
Trypanosoma cruzi pyruvate kinase 2, putative 0.0774 1 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0052 0.004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0052 0.004
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0225 0.0306
Loa Loa (eye worm) pyruvate kinase 0.0774 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0112
Echinococcus multilocularis expressed conserved protein 0.009 0.1098 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0052 0.004
Schistosoma mansoni smad1 5 8 and 0.001 0.0052 0.004
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1173 0.1163
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0728 0.0716
Echinococcus granulosus Smad4 0.001 0.0052 0.004
Echinococcus granulosus pyruvate kinase 0.0397 0.5096 0.509
Chlamydia trachomatis PTS system PEP phosphotransferase 0.0324 0.4139 0.405
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0381 0.0369
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0716
Loa Loa (eye worm) hypothetical protein 0.0096 0.1173 0.1163
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0225 0.0213
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0052 0.004
Plasmodium vivax pyruvate kinase 2, putative 0.0397 0.5096 0.509
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0381 0.0369
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0124 0.0112
Echinococcus granulosus tar DNA binding protein 0.0062 0.0728 0.0716
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0052 0.004
Echinococcus granulosus dnaJ subfamily B 0.0399 0.5115 0.5109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0149 0.0137
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0052 0.004
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0381 0.0381
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0052 0.004
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0052 0.004
Mycobacterium ulcerans hypothetical protein 0.0324 0.4139 0.4131
Leishmania major basic transcription factor 3a, putative 0.0034 0.0368 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0368 0.0361
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0381 0.0369
Brugia malayi MH2 domain containing protein 0.0144 0.18 0.179
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0225 0.0306
Brugia malayi beta-lactamase family protein 0.0035 0.0381 0.0369
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0716
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0052 0.004
Mycobacterium ulcerans hypothetical protein 0.0035 0.0381 0.0369
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0124 0.0112
Leishmania major pyruvate kinase 0.0774 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0728 0.0716
Loa Loa (eye worm) ICD-1 protein 0.0034 0.0368 0.0356
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0381 0.0375
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0052 0.004
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0225 0.0213
Mycobacterium leprae PROBABLE PYRUVATE, PHOSPHATE DIKINASE PPDK 0.0324 0.4139 0.4131
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0381 0.0369
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0381 0.0369
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0052 0.004
Echinococcus multilocularis Smad4 0.001 0.0052 0.004
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Onchocerca volvulus Pyruvate kinase homolog 0.0774 1 1
Toxoplasma gondii pyruvate kinase PyK1 0.0774 1 1
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0225 0.0225
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0368 0.0361
Brugia malayi pyruvate kinase, muscle isozyme 0.0163 0.2047 0.2037
Plasmodium vivax pyruvate kinase, putative 0.0774 1 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.1173 0.1673
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0052 0.004
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0124 0.0112
Brugia malayi beta-lactamase family protein 0.0035 0.0381 0.0369
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0225 0.0213
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0012 0.0012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Echinococcus granulosus pyruvate kinase 0.0397 0.5096 0.509
Schistosoma mansoni hypothetical protein 0.004 0.0441 0.0429
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0225 0.0213
Brugia malayi ecdysteroid receptor 0.001 0.0052 0.004
Brugia malayi beta-lactamase 0.0035 0.0381 0.0369
Trypanosoma brucei pyruvate kinase 1, putative 0.0774 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0052 0.004
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0012 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0381 0.0369
Loa Loa (eye worm) hypothetical protein 0.0035 0.0381 0.0369
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0112
Mycobacterium ulcerans hypothetical protein 0.0023 0.0225 0.0213
Trypanosoma brucei pyruvate phosphate dikinase 0.0324 0.4139 0.4131
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0052 0.004
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0012 0.0012
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0124 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0225 0.0213
Echinococcus granulosus Protein patched homolog 1 0.0041 0.046 0.0448
Trichomonas vaginalis esterase, putative 0.0035 0.0381 0.0375
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0052 0.004
Brugia malayi steroid hormone receptor 0.001 0.0052 0.004
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0012
Brugia malayi MH1 domain containing protein 0.001 0.0052 0.004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0052 0.004
Entamoeba histolytica pyruvate phosphate dikinase 0.0324 0.4139 0.5947
Echinococcus granulosus expressed conserved protein 0.009 0.1098 0.1087
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0728 0.0716
Brugia malayi isocitrate dehydrogenase 0.0015 0.0124 0.0112
Echinococcus granulosus FTZ F1 alpha 0.001 0.0052 0.004
Onchocerca volvulus 0.0035 0.0381 0.0369
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0136 0.0136
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0037 0.0024
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0014 0.0002
Schistosoma mansoni hypothetical protein 0.0399 0.5115 0.5109
Schistosoma mansoni pyruvate kinase 0.0397 0.5096 0.509
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0136 0.0136
Schistosoma mansoni hypothetical protein 0.004 0.0441 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0052 0.004
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.046 0.0448
Schistosoma mansoni Smad4 0.001 0.0052 0.004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0052 0.004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0149 0.0137
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0052 0.004
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0381 0.0369
Toxoplasma gondii pyruvate kinase PyKII 0.0397 0.5096 0.509
Echinococcus granulosus transcription factor btf3 0.0034 0.0368 0.0356
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0012
Brugia malayi CXXC zinc finger family protein 0.0028 0.0288 0.0276
Onchocerca volvulus 0.0028 0.0288 0.0276
Entamoeba histolytica pyruvate kinase, putative 0.054 0.6951 1
Echinococcus multilocularis smad 0.001 0.0052 0.004
Brugia malayi MH2 domain containing protein 0.001 0.0052 0.004
Toxoplasma gondii ABC1 family protein 0.0035 0.0381 0.0369
Schistosoma mansoni nuclear hormone receptor 0.001 0.0052 0.004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0035 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0381 0.0369
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0052 0.004
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0124 0.0112
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1173 0.1163
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0014 0.0002
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0225 0.0213
Mycobacterium tuberculosis Probable pyruvate, phosphate dikinase PpdK 0.0324 0.4139 0.4139
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0225 0.0213
Echinococcus granulosus pyruvate kinase 0.0774 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0124 0.0112
Loa Loa (eye worm) hypothetical protein 0.005 0.0581 0.0569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0052 0.004
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0014 0.0002
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0614 0.0603
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0324 0.4139 0.4135
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0014 0.0002
Mycobacterium tuberculosis Conserved protein 0.0035 0.0381 0.0381
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0124 0.0124
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Trypanosoma cruzi pyruvate phosphate dikinase, putative 0.0324 0.4139 0.4131
Echinococcus multilocularis pyruvate kinase 0.0397 0.5096 0.509
Onchocerca volvulus 0.001 0.0052 0.004
Mycobacterium leprae Probable pyruvate kinase PykA 0.0774 1 1
Echinococcus multilocularis transcription factor btf3 0.0034 0.0368 0.0356
Schistosoma mansoni thyroid hormone receptor 0.001 0.0052 0.004
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0052 0.004
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0381 0.0369
Mycobacterium ulcerans beta-lactamase 0.0035 0.0381 0.0369
Trichomonas vaginalis pyruvate kinase, putative 0.0774 1 1
Mycobacterium ulcerans pyruvate kinase 0.0774 1 1
Echinococcus multilocularis pyruvate kinase 0.0397 0.5096 0.509
Loa Loa (eye worm) pyruvate kinase 0.0774 1 1
Mycobacterium leprae Probable lipase LipE 0.0035 0.0381 0.0369
Loa Loa (eye worm) hypothetical protein 0.0023 0.0225 0.0213
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0225 0.0213
Brugia malayi nuclear hormone receptor 0.001 0.0052 0.004
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0037 0.0024
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0225 0.0213
Entamoeba histolytica hypothetical protein 0.0034 0.0368 0.0512
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0052 0.004
Mycobacterium ulcerans lipase LipD 0.0035 0.0381 0.0369
Schistosoma mansoni cpg binding protein 0.0028 0.0288 0.0276
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0052 0.004
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0716
Brugia malayi Smad1 0.001 0.0052 0.004
Loa Loa (eye worm) pyruvate kinase 0.0774 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0381 0.0369
Mycobacterium tuberculosis Conserved protein 0.0035 0.0381 0.0381
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0052 0.004
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0225 0.0213
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.004
Loa Loa (eye worm) Smad1 0.001 0.0052 0.004
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0052 0.004
Echinococcus multilocularis pyruvate kinase 0.0774 1 1
Plasmodium falciparum pyruvate kinase 2 0.0397 0.5096 0.509
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0728 0.0716
Loa Loa (eye worm) pyruvate kinase 0.0163 0.2047 0.2037
Treponema pallidum pyruvate phosphate dikinase 0.0324 0.4139 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0149 0.0137
Echinococcus multilocularis pyruvate kinase 0.0397 0.5096 0.509
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0012 0.0012
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0014 0.0002
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0124 0.0112
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0136 0.0136
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0324 0.4139 0.4135
Mycobacterium tuberculosis Conserved hypothetical protein 0.0324 0.4139 0.4139
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.0368 0.0356
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0381 0.0381
Schistosoma mansoni coup transcription factor 0.001 0.0052 0.004
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.18 0.179
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.046 0.0454
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0124 0.0112
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0052 0.004
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1173 0.1163
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0012 0.0012
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0381 0.0381
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0225 0.0225
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0697 0.0686
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0381 0.0375
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0017 0.0149 0.0137
Brugia malayi TAR-binding protein 0.0062 0.0728 0.0716
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0124 0.0112
Onchocerca volvulus Pyruvate kinase homolog 0.0774 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0012 0.0012
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0052 0.004
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0037 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.18 0.179
Echinococcus granulosus pyruvate kinase 0.0397 0.5096 0.509
Mycobacterium ulcerans pyruvate phosphate dikinase 0.0324 0.4139 0.4131
Echinococcus multilocularis cpg binding protein 0.003 0.0309 0.0297
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0225 0.0213
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0381 0.0369
Trichomonas vaginalis pyruvate kinase, putative 0.0774 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0149 0.0137
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0225 0.0213
Loa Loa (eye worm) RNA binding protein 0.0062 0.0728 0.0716
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0012 0.0012
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0012 0.0012
Giardia lamblia Pyruvate kinase 0.0397 0.5096 0.1633
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0324 0.4139 0.4135
Brugia malayi nuclear receptor NHR-88 0.001 0.0052 0.004
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0052 0.004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0052 0.004
Onchocerca volvulus Pyruvate kinase homolog 0.0774 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0052 0.004
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0381 0.0369
Echinococcus multilocularis protein dispatched 1 0.0047 0.0536 0.0524
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0225 0.0213
Giardia lamblia Pyruvate kinase 0.0774 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0381 0.0375
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0052 0.004
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0381 0.0381
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0052 0.004
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0052 0.004
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0136 0.0136
Onchocerca volvulus 0.0023 0.0225 0.0213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0052 0.004
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0052 0.004
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0012 0.0006
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0124 0.0112
Chlamydia trachomatis pyruvate kinase 0.0774 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] 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.