Detailed information for compound 1264596

Basic information

Technical information
  • TDR Targets ID: 1264596
  • Name: 4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-(4 -ethoxy-3-methoxyphenyl)piperazine-2,5-dione
  • MW: 454.602 | Formula: C27H38N2O4
  • H donors: 0 H acceptors: 2 LogP: 4.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1OC)C1N(CCC2=CCCCC2)C(=O)CN(C1=O)C1CCCCC1
  • InChi: 1S/C27H38N2O4/c1-3-33-23-15-14-21(18-24(23)32-2)26-27(31)29(22-12-8-5-9-13-22)19-25(30)28(26)17-16-20-10-6-4-7-11-20/h10,14-15,18,22,26H,3-9,11-13,16-17,19H2,1-2H3
  • InChiKey: NFHJPUBJPINWCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione
  • 4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-quinone
  • K784-5403
  • NCGC00139637-01
  • EU-0096856

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0793 1 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.021 0.019
Chlamydia trachomatis PTS system PEP phosphotransferase 0.0332 0.413 0.405
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0367 0.0328
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0016 0.011 0.0087
Echinococcus granulosus transcription factor btf3 0.0035 0.0353 0.0353
Echinococcus granulosus pyruvate kinase 0.0793 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0367 0.0346
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0793 1 1
Brugia malayi beta-NAC-like protein 0.0035 0.0353 0.0333
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0324 0.0304
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.024 0.2963 0.2948
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.021 0.0171
Echinococcus multilocularis cpg binding protein 0.003 0.0295 0.0295
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0038 0.0016
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0134 0.0025
Echinococcus multilocularis dnaJ subfamily B 0.0408 0.5102 0.5102
Brugia malayi ecdysteroid receptor 0.001 0.0038 0.0017
Schistosoma mansoni hypothetical protein 0.0041 0.0426 0.0426
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.1159 0.1159
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0676 0.0656
Loa Loa (eye worm) hypothetical protein 0.0024 0.021 0.0189
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0353 0.0246
Schistosoma mansoni ferritin 0.001 0.004 0.004
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0152 0.0152
Echinococcus multilocularis lamin dm0 0.0033 0.0324 0.0324
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0038 0.0016
Brugia malayi AMP-binding enzyme family protein 0.0024 0.021 0.019
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.021 0.0171
Onchocerca volvulus 0.0036 0.0367 0.033
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.011 0.011
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0038 0.0038
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.011 0.011
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0367 0.0328
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Loa Loa (eye worm) hypothetical protein 0.0036 0.0367 0.0345
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0018 0.0134 0.0112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0038 0.0038
Echinococcus multilocularis lamin 0.0033 0.0324 0.0324
Loa Loa (eye worm) hypothetical protein 0.0018 0.0134 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0038 0.0017
Onchocerca volvulus 0.0033 0.0324 0.0287
Echinococcus granulosus FTZ F1 alpha 0.001 0.0038 0.0038
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0152 0.0131
Plasmodium vivax pyruvate kinase 2, putative 0.0407 0.5089 0.5034
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0022 0.0022
Brugia malayi CHE-14 protein 0.0042 0.0446 0.0426
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0367 0.0259
Onchocerca volvulus Pyruvate kinase homolog 0.0793 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0038 0.0017
Schistosoma mansoni thyroid hormone receptor 0.001 0.0038 0.0038
Schistosoma mansoni cpg binding protein 0.003 0.0295 0.0295
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0367 0.0328
Schistosoma mansoni transcription factor btf3 0.0035 0.0353 0.0353
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0353 0.0246
Echinococcus multilocularis pyruvate kinase 0.0407 0.5089 0.5089
Toxoplasma gondii pyruvate kinase PyKII 0.0407 0.5089 0.5034
Loa Loa (eye worm) pyruvate kinase-PB 0.0553 0.6947 0.694
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0038 0.0017
Loa Loa (eye worm) hypothetical protein 0.0036 0.0367 0.0345
Leishmania major pyruvate kinase 0.0793 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0038 0.0038
Onchocerca volvulus 0.0024 0.021 0.0173
Loa Loa (eye worm) hypothetical protein 0.0018 0.0134 0.0112
Echinococcus granulosus GPCR family 2 0.0019 0.0152 0.0152
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0446 0.0408
Loa Loa (eye worm) pyruvate kinase 0.0167 0.2035 0.2018
Onchocerca volvulus Pyruvate kinase homolog 0.0793 1 1
Schistosoma mansoni hypothetical protein 0.0408 0.5102 0.5102
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0152 0.0152
Schistosoma mansoni apoferritin-2 0.001 0.004 0.004
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0714 0.0693
Schistosoma mansoni hypothetical protein 0.0041 0.0433 0.0433
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0714 0.0714
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0038 0.0038
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.1696 0.1696
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0367 0.0328
Loa Loa (eye worm) hypothetical protein 0.0032 0.0316 0.0295
Leishmania major pyruvate phosphate dikinase, putative 0.0332 0.413 0.4065
Echinococcus granulosus tar DNA binding protein 0.0063 0.0714 0.0714
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0038 0.0016
Schistosoma mansoni nuclear hormone receptor 0.001 0.0038 0.0038
Trichomonas vaginalis esterase, putative 0.0036 0.0367 0.0328
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0038 0.0038
Echinococcus granulosus lamin 0.0033 0.0324 0.0324
Brugia malayi Isocitrate dehydrogenase 0.0016 0.011 0.0089
Echinococcus granulosus lamin dm0 0.0033 0.0324 0.0324
Schistosoma mansoni patched 1 0.0042 0.0446 0.0446
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0038 0.0038
Schistosoma mansoni pyruvate kinase 0.0793 1 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0367 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0038 0.0017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.021 0.0171
Leishmania major pyruvate kinase 0.0793 1 1
Echinococcus granulosus pyruvate kinase 0.0793 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0332 0.413 0.4107
Mycobacterium ulcerans hypothetical protein 0.0024 0.021 0.0171
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.283 0.2801
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.021 0.0171
Treponema pallidum pyruvate phosphate dikinase 0.0332 0.413 1
Toxoplasma gondii pyruvate kinase PyK1 0.0793 1 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0367 0.0328
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0714 0.0714
Mycobacterium leprae Probable pyruvate kinase PykA 0.0793 1 1
Schistosoma mansoni cpg binding protein 0.0029 0.0274 0.0274
Echinococcus multilocularis musashi 0.0033 0.0324 0.0324
Schistosoma mansoni hypothetical protein 0.0019 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0036 0.0367 0.0345
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0038 0.0017
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0038 0.0038
Echinococcus multilocularis expressed conserved protein 0.0092 0.1083 0.1083
Mycobacterium leprae PROBABLE PYRUVATE, PHOSPHATE DIKINASE PPDK 0.0332 0.413 0.4107
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0332 0.413 0.4107
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0122 0.0083
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0332 0.413 0.4107
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0274 0.0252
Wolbachia endosymbiont of Brugia malayi pyruvate phosphate dikinase 0.0332 0.413 1
Giardia lamblia Pyruvate kinase 0.0407 0.5089 0.1633
Mycobacterium ulcerans hypothetical protein 0.0036 0.0367 0.0328
Echinococcus granulosus cpg binding protein 0.003 0.0295 0.0295
Brugia malayi beta-lactamase family protein 0.0036 0.0367 0.0346
Schistosoma mansoni ferritin light chain 0.001 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0018 0.0134 0.0112
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0353 0.0212
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.1696 0.1696
Brugia malayi CXXC zinc finger family protein 0.0029 0.0274 0.0254
Loa Loa (eye worm) pyruvate kinase 0.0793 1 1
Loa Loa (eye worm) pyruvate kinase 0.0793 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0446 0.0425
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.011 0.011
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0324 0.0302
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0324 0.0302
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.021 0.0102
Mycobacterium ulcerans hypothetical protein 0.0332 0.413 0.4107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0102 0.008
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.1159 0.1409
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0038 0.0017
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0152 0.0152
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Brugia malayi isocitrate dehydrogenase 0.0016 0.011 0.0089
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0714 0.0693
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.021 0.0171
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.1159 0.1141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0038 0.0038
Echinococcus multilocularis pyruvate kinase 0.0626 0.7874 0.7874
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Loa Loa (eye worm) hypothetical protein 0.0015 0.0102 0.008
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0367 0.0328
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0024 0.021 0.0189
Loa Loa (eye worm) hypothetical protein 0.0041 0.0433 0.0412
Schistosoma mansoni hypothetical protein 0.0041 0.0426 0.0426
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0038 0.0038
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Loa Loa (eye worm) hypothetical protein 0.0036 0.0367 0.0345
Schistosoma mansoni coup transcription factor 0.001 0.0038 0.0038
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0152 0.0131
Echinococcus granulosus dnaJ subfamily B 0.0408 0.5102 0.5102
Trypanosoma cruzi pyruvate phosphate dikinase, putative 0.0332 0.413 0.4065
Onchocerca volvulus 0.0036 0.0367 0.033
Schistosoma mansoni hypothetical protein 0.0041 0.0426 0.0426
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0038 0.0017
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0446 0.0446
Onchocerca volvulus 0.0029 0.0274 0.0237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0038 0.0016
Onchocerca volvulus Pyruvate kinase homolog 0.0793 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0152 0.0152
Mycobacterium tuberculosis Conserved protein 0.0036 0.0367 0.0328
Trypanosoma cruzi pyruvate phosphate dikinase, putative 0.0332 0.413 0.4065
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.021 0.0171
Schistosoma mansoni lamin 0.0033 0.0324 0.0324
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0353 0.0246
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0353 0.0315
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0367 0.0328
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0446 0.0446
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0041 0.0426 0.0426
Loa Loa (eye worm) hypothetical protein 0.0019 0.0152 0.013
Mycobacterium tuberculosis Conserved protein 0.0036 0.0367 0.0328
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0038 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0038 0.0016
Brugia malayi intermediate filament protein 0.0033 0.0324 0.0304
Onchocerca volvulus 0.0033 0.0324 0.0287
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0683 0.0683
Mycobacterium ulcerans lipase LipD 0.0036 0.0367 0.0328
Schistosoma mansoni lamin 0.0033 0.0324 0.0324
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0367 0.0328
Trichomonas vaginalis pyruvate kinase, putative 0.0793 1 1
Brugia malayi TAR-binding protein 0.0063 0.0714 0.0694
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0367 0.0259
Echinococcus multilocularis GPCR, family 2 0.0019 0.0152 0.0152
Echinococcus multilocularis ferritin 0.001 0.004 0.004
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0038 0.0038
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0367 0.0328
Schistosoma mansoni hypothetical protein 0.0019 0.0152 0.0152
Plasmodium vivax pyruvate kinase, putative 0.0793 1 1
Onchocerca volvulus 0.0036 0.0367 0.033
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.011 0.0088
Chlamydia trachomatis pyruvate kinase 0.0793 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0793 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0714 0.0714
Brugia malayi beta-lactamase family protein 0.0036 0.0367 0.0346
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.1159 0.1159
Trypanosoma brucei pyruvate kinase 1 0.0793 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0353 0.0212
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0714 0.0694
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0367 0.0259
Loa Loa (eye worm) hypothetical protein 0.0098 0.1159 0.114
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0367 0.0367
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0038 0.0038
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1179 0.1179
Schistosoma mansoni intermediate filament proteins 0.0033 0.0324 0.0324
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0122 0.0083
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0446 0.0425
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.021 0.0102
Loa Loa (eye worm) hypothetical protein 0.0036 0.0367 0.0345
Echinococcus granulosus pyruvate kinase 0.0407 0.5089 0.5089
Brugia malayi pyruvate kinase 0.0167 0.2035 0.2019
Leishmania major basic transcription factor 3a, putative 0.0035 0.0353 0.0246
Toxoplasma gondii ABC1 family protein 0.0036 0.0367 0.0259
Schistosoma mansoni pyruvate kinase 0.0793 1 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0793 1 1
Schistosoma mansoni ferritin light chain 0.001 0.004 0.004
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0367 0.0259
Schistosoma mansoni thyroid hormone receptor 0.001 0.0038 0.0038
Plasmodium falciparum pyruvate kinase 0.0793 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0367 0.0328
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0038 0.0038
Plasmodium falciparum pyruvate kinase 2 0.0407 0.5089 0.5034
Echinococcus multilocularis protein dispatched 1 0.0048 0.0522 0.0522
Trypanosoma cruzi pyruvate kinase 2, putative 0.0793 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0367 0.0367
Echinococcus granulosus intermediate filament protein 0.0033 0.0324 0.0324
Echinococcus multilocularis pyruvate kinase 0.0793 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0038 0.0038
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0714 0.0714
Brugia malayi steroid hormone receptor 0.001 0.0038 0.0017
Loa Loa (eye worm) hypothetical protein 0.0033 0.0324 0.0302
Loa Loa (eye worm) hypothetical protein 0.0052 0.0566 0.0545
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Echinococcus multilocularis protein patched 0.0042 0.0446 0.0446
Echinococcus granulosus ferritin 0.001 0.004 0.004
Schistosoma mansoni apoferritin-2 0.001 0.004 0.004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0038 0.0038
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0134 0.0095
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0433 0.0413
Echinococcus multilocularis transcription factor btf3 0.0035 0.0353 0.0353
Schistosoma mansoni cpg binding protein 0.003 0.0295 0.0295
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0038 0.0017
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0353 0.0246
Brugia malayi pyruvate kinase, muscle isozyme 0.0167 0.2035 0.2019
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0353 0.0246
Trichomonas vaginalis pyruvate kinase, putative 0.0793 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0038 0.0038
Mycobacterium tuberculosis Probable pyruvate, phosphate dikinase PpdK 0.0332 0.413 0.4107
Brugia malayi AMP-binding enzyme family protein 0.0024 0.021 0.019
Brugia malayi nuclear hormone receptor 0.001 0.0038 0.0017
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0367 0.0328
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0038 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0038 0.0016
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0367 0.0328
Schistosoma mansoni hypothetical protein 0.0019 0.0152 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0038 0.0017
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0367 0.0328
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.021 0.0171
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0018 0.0134 0.0112
Entamoeba histolytica pyruvate phosphate dikinase 0.0332 0.413 0.5819
Schistosoma mansoni pyruvate kinase 0.0407 0.5089 0.5089
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0038 0.0016
Echinococcus multilocularis expressed protein 0.001 0.004 0.004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0676 0.0655
Mycobacterium ulcerans beta-lactamase 0.0036 0.0367 0.0328
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0446 0.0446
Brugia malayi nuclear receptor NHR-88 0.001 0.0038 0.0017
Echinococcus granulosus pyruvate kinase 0.0407 0.5089 0.5089
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.021 0.0171
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0132 0.0111
Mycobacterium ulcerans pyruvate phosphate dikinase 0.0332 0.413 0.4107
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0676 0.0656
Mycobacterium ulcerans pyruvate kinase 0.0793 1 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0793 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0353 0.0315
Entamoeba histolytica pyruvate kinase, putative 0.0553 0.6947 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0038 0.0017
Schistosoma mansoni ferritin 0.001 0.004 0.004
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.021 0.0171
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Loa Loa (eye worm) hypothetical protein 0.0036 0.0367 0.0345
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0038 0.0038
Echinococcus granulosus pyruvate kinase 0.0407 0.5089 0.5089
Loa Loa (eye worm) hypothetical protein 0.0553 0.6947 0.694
Loa Loa (eye worm) pyruvate kinase 0.0793 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0714 0.0714
Echinococcus multilocularis pyruvate kinase 0.0407 0.5089 0.5089
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0353 0.0315
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0134 0.0025
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0134 0.0095
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0367 0.0328
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.011 0.011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0122 0.0083
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0152 0.0152
Echinococcus multilocularis pyruvate kinase 0.0407 0.5089 0.5089
Schistosoma mansoni ferritin 0.001 0.004 0.004
Loa Loa (eye worm) RNA binding protein 0.0063 0.0714 0.0693
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0122 0.0083
Schistosoma mansoni ferritin 0.001 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0038 0.0038
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0152 0.013
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0038 0.0017
Echinococcus multilocularis pyruvate kinase 0.0793 1 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0038 0.0038
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0038 0.0038
Brugia malayi RNA binding protein 0.0063 0.0714 0.0694
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0367 0.0328
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0714 0.0714
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.021 0.0171
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0132 0.011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0038 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0038 0.0016
Brugia malayi beta-lactamase 0.0036 0.0367 0.0346
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0038 0.0038
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0332 0.413 0.4107
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0367 0.0328
Loa Loa (eye worm) hypothetical protein 0.001 0.0038 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0038 0.0017
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.021 0.0102
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0353 0.0246
Trypanosoma brucei pyruvate phosphate dikinase 0.0332 0.413 0.4065
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0038 0.0017
Echinococcus granulosus expressed conserved protein 0.0092 0.1083 0.1083
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.06 0.0496
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0038 0.0017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0038 0.0038
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.006 0.0676 0.0655
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0038 0.0038
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.011 0.011
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.011 0.0071
Leishmania major hypothetical protein, conserved 0.0036 0.0367 0.0259
Mycobacterium leprae Probable lipase LipE 0.0036 0.0367 0.0328
Giardia lamblia Pyruvate kinase 0.0793 1 1
Echinococcus granulosus expressed protein 0.001 0.004 0.004
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0367 0.0345
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0038 0.0038
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0024 0.021 0.0189
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0332 0.413 0.4107
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.021 0.0171
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0353 0.0332

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (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

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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