Detailed information for compound 65526

Basic information

Technical information
  • TDR Targets ID: 65526
  • Name: (E)-2-methyl-4-(4-methylphenyl)-4-oxobut-2-en oic acid
  • MW: 204.222 | Formula: C12H12O3
  • H donors: 1 H acceptors: 3 LogP: 2.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C)/C=C(/C(=O)O)\C
  • InChi: 1S/C12H12O3/c1-8-3-5-10(6-4-8)11(13)7-9(2)12(14)15/h3-7H,1-2H3,(H,14,15)/b9-7+
  • InChiKey: GVZFSNIWFXMNSU-VQHVLOKHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-2-methyl-4-oxo-4-(p-tolyl)but-2-enoic acid
  • (E)-2-methyl-4-oxo-4-(p-tolyl)-2-butenoic acid
  • (E)-2-methyl-4-(4-methylphenyl)-4-oxo-but-2-enoic acid
  • (E)-4-keto-2-methyl-4-(p-tolyl)but-2-enoic acid
  • (E)-4-keto-2-methyl-4-(4-methylphenyl)but-2-enoic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0039 0.0069 0.0094
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.0277
Trypanosoma brucei NADH-dependent fumarate reductase 0.0073 0.0283 0.0386
Brugia malayi nuclear receptor NHR-88 0.0114 0.0546 0.0745
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Echinococcus granulosus cytochrome b5 reductase 4 0.0073 0.0283 0.0283
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0643 0.39 0.5322
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1183 0.7328 1
Chlamydia trachomatis sulfite reductase 0.0397 0.2339 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.013 0.0178
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0162 0.0093
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Plasmodium vivax ferredoxin--NADP reductase, putative 0.0073 0.0283 0.0725
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0643 0.39 0.5322
Brugia malayi hypothetical protein 0.0039 0.0069 0.0094
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1183 0.7328 1
Schistosoma mansoni hypothetical protein 0.0353 0.2063 0.2008
Schistosoma mansoni coup transcription factor 0.0114 0.0546 0.048
Brugia malayi diaphorase 0.0073 0.0283 0.0386
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Echinococcus granulosus methionine synthase reductase 0.0397 0.2339 0.2339
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0114 0.0546 0.0745
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0054 0.0162 0.0093
Mycobacterium tuberculosis Probable oxidoreductase 0.0073 0.0283 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0643 0.39 0.5322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0114 0.0546 0.0546
Schistosoma mansoni P2X receptor subunit 0.0385 0.2264 0.221
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0073 0.0283 0.1534
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.0203 0.0277
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0137 0.0187
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0643 0.39 0.4056
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1183 0.7328 1
Echinococcus granulosus p2X purinoceptor 4 0.0385 0.2264 0.2264
Brugia malayi Steroid receptor seven-up type 2 0.0114 0.0546 0.0745
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Brugia malayi steroid hormone receptor 0.0114 0.0546 0.0745
Schistosoma mansoni retinoic acid receptor RXR 0.1603 1 1
Brugia malayi flavodoxin family protein 0.0643 0.39 0.5322
Entamoeba histolytica hypothetical protein 0.0039 0.0069 0.0094
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0069 0.0069
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.057 0.3436 0.881
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0114 0.0546 0.0745
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0114 0.0546 0.0745
Schistosoma mansoni P2X receptor subunit 0.0385 0.2264 0.221
Onchocerca volvulus 0.0073 0.0283 0.3153
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0246 0.138 0.1883
Brugia malayi hypothetical protein 0.006 0.0203 0.0277
Echinococcus granulosus Nuclear hormone receptor HR96 0.0054 0.0162 0.0162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0137 0.0068
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.013 0.0178
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.0277
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0114 0.0546 0.0745
Brugia malayi nuclear hormone receptor 0.0054 0.0162 0.0221
Schistosoma mansoni nuclear receptor 0.0054 0.0162 0.0093
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0643 0.39 0.5322
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1183 0.7328 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0114 0.0546 0.048
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1183 0.7328 1
Echinococcus granulosus dna polymerase eta 0.0049 0.013 0.013
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0643 0.39 0.4056
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0114 0.0546 0.0745
Schistosoma mansoni tar DNA-binding protein 0.0069 0.026 0.0192
Entamoeba histolytica hypothetical protein 0.0039 0.0069 0.0094
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0054 0.0162 0.0093
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) nuclear hormone receptor 0.0054 0.0162 0.0221
Echinococcus multilocularis thyroid hormone receptor alpha 0.0114 0.0546 0.0568
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0114 0.0546 0.0546
Echinococcus granulosus ecdysone induced protein 78C 0.0114 0.0546 0.0546
Loa Loa (eye worm) flavodoxin family protein 0.0246 0.138 0.1883
Loa Loa (eye worm) FAD binding domain-containing protein 0.0643 0.39 0.5322
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0246 0.138 0.1883
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0114 0.0546 0.0745
Entamoeba histolytica type A flavoprotein, putative 0.0246 0.138 0.1883
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0073 0.0283 0.0386
Brugia malayi TAR-binding protein 0.0069 0.026 0.0354
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.0277
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0073 0.0283 0.0823
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0073 0.0283 0.0215
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0114 0.0546 0.0745
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Echinococcus granulosus thyroid hormone receptor alpha 0.0054 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0246 0.138 0.1883
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0114 0.0546 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0114 0.0546 0.0745
Brugia malayi tailless protein 0.0054 0.0162 0.0221
Treponema pallidum flavodoxin 0.0246 0.138 1
Leishmania major DNA polymerase eta, putative 0.0034 0.0038 0.0051
Trypanosoma brucei nitrate reductase, putative 0.0073 0.0283 0.0386
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.013 0.0178
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.006 0.0203 0.0277
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1183 0.7328 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0643 0.39 0.5322
Brugia malayi orphan nuclear receptor NR2E1 0.0054 0.0162 0.0221
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0073 0.0283 0.0386
Leishmania major DNA polymerase eta, putative 0.0049 0.013 0.0178
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0114 0.0546 0.0546
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0038 0.0205
Brugia malayi ecdysone receptor 0.0054 0.0162 0.0221
Echinococcus granulosus tar DNA binding protein 0.0069 0.026 0.026
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0114 0.0546 0.0546
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0114 0.0546 0.048
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0114 0.0546 0.0546
Echinococcus multilocularis FTZ F1 alpha 0.0114 0.0546 0.0568
Schistosoma mansoni tar DNA-binding protein 0.0069 0.026 0.0192
Trypanosoma cruzi reductase, putative 0.0073 0.0283 0.0386
Echinococcus multilocularis methionine synthase reductase 0.0397 0.2339 0.2432
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.006 0.0203 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0137 0.0068
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) RNA binding protein 0.0069 0.026 0.0354
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0114 0.0546 0.048
Brugia malayi Nuclear hormone receptor-like 1 0.006 0.0203 0.0277
Echinococcus granulosus geminin 0.0353 0.2063 0.2063
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Schistosoma mansoni P2X receptor subunit 0.0385 0.2264 0.221
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0114 0.0546 0.0568
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0246 0.138 0.3538
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0246 0.138 0.3538
Schistosoma mansoni cytochrome B5 0.0073 0.0283 0.0215
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0114 0.0546 0.048
Schistosoma mansoni nuclear hormone receptor 0.0114 0.0546 0.048
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.006 0.0203 0.0135
Echinococcus multilocularis dna polymerase eta 0.0049 0.013 0.0136
Trypanosoma cruzi p450 reductase, putative 0.0643 0.39 0.5322
Mycobacterium tuberculosis Probable monooxygenase 0.0073 0.0283 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.057 0.3436 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0246 0.138 0.3538
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0114 0.0546 0.0745
Loa Loa (eye worm) steroid hormone receptor 0.0114 0.0546 0.0745
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0162 0.0093
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0643 0.39 0.5322
Onchocerca volvulus 0.0114 0.0546 1
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) nuclear receptor NHR-67 0.0054 0.0162 0.0221
Schistosoma mansoni nuclear receptor 0.0054 0.0162 0.0093
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.026 0.0354
Brugia malayi Nuclear hormone receptor-like 1 0.0114 0.0546 0.0745
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1183 0.7328 0.7328
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.026 0.0354
Brugia malayi Nuclear hormone receptor E75 0.0054 0.0162 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0114 0.0546 0.0745
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0114 0.0546 0.0745
Entamoeba histolytica type A flavoprotein, putative 0.0246 0.138 0.1883
Leishmania major NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0114 0.0546 0.0745
Onchocerca volvulus Bile acid receptor homolog 0.0114 0.0546 1
Giardia lamblia Hypothetical protein 0.057 0.3436 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0114 0.0546 0.0745
Trypanosoma brucei oxidoreductase-protein, putative 0.0073 0.0283 0.0386
Schistosoma mansoni retinoid-x-receptor (RXR) 0.006 0.0203 0.0135
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0069 0.0072
Onchocerca volvulus Protein ultraspiracle homolog 0.0114 0.0546 1
Leishmania major hypothetical protein, conserved 0.0246 0.138 0.1883
Brugia malayi nuclear receptor RXR 0.0054 0.0162 0.0221
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0643 0.39 1
Leishmania major NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0073 0.0283 0.0386
Leishmania major cytochrome-b5 reductase, putative 0.0073 0.0283 0.0386
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0162 0.0162
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0073 0.0283 0.0294
Schistosoma mansoni P2X receptor subunit 0.0385 0.2264 0.221
Schistosoma mansoni thyroid hormone receptor 0.0114 0.0546 0.048
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Schistosoma mansoni hypothetical protein 0.0353 0.2063 0.2008
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0054 0.0162 0.0168
Brugia malayi Nuclear hormone receptor E75 0.0054 0.0162 0.0221
Schistosoma mansoni nuclear receptor nhr-48 0.0054 0.0162 0.0093
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) DR-78 0.0054 0.0162 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0114 0.0546 0.0745
Echinococcus multilocularis cytochrome b5 reductase 4 0.0073 0.0283 0.0294
Trypanosoma brucei NADH-dependent fumarate reductase 0.0073 0.0283 0.0386
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Schistosoma mansoni diflavin oxidoreductase 0.0319 0.1844 0.1787
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0073 0.0283 0.1534
Brugia malayi flavodoxin family protein 0.0246 0.138 0.1883
Echinococcus multilocularis ecdysone induced protein 78C 0.0114 0.0546 0.0568
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0114 0.0546 0.0745
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0137 0.0137
Echinococcus granulosus FTZ F1 alpha 0.0114 0.0546 0.0546
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0137 0.0143
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0137 0.0137
Brugia malayi FAD binding domain containing protein 0.0397 0.2339 0.3192
Leishmania major cytochrome-b5 reductase, putative 0.0073 0.0283 0.0386
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0073 0.0283 0.0386
Leishmania major reductase, putative 0.0073 0.0283 0.0386
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0246 0.138 0.3538
Plasmodium falciparum nitric oxide synthase, putative 0.0643 0.39 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1183 0.7328 0.7621
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0725
Leishmania major NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0114 0.0546 0.0745
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0054 0.0162 0.0162
Leishmania major oxidoreductase-like protein 0.0073 0.0283 0.0386
Toxoplasma gondii flavodoxin domain-containing protein 0.0319 0.1844 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0114 0.0546 1
Trypanosoma cruzi p450 reductase, putative 0.0073 0.0283 0.0386
Echinococcus granulosus transcription factor Dp 1 0.0685 0.4166 0.4166
Leishmania major NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0073 0.0283 0.0386
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0162 0.0168
Echinococcus granulosus p2X purinoceptor 4 0.0385 0.2264 0.2264
Echinococcus multilocularis tar DNA binding protein 0.0069 0.026 0.027
Toxoplasma gondii flavodoxin domain-containing protein 0.0319 0.1844 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.0277
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0114 0.0546 0.0745
Plasmodium falciparum ferredoxin--NADP reductase 0.0073 0.0283 0.0725
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0073 0.0283 0.0283
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.006 0.0203 0.0203
Schistosoma mansoni DNA polymerase eta 0.0049 0.013 0.0062
Leishmania major p450 reductase, putative 0.0643 0.39 0.5322
Echinococcus granulosus Nuclear hormone receptor HR96 0.0054 0.0162 0.0162
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0643 0.39 1
Loa Loa (eye worm) diaphorase 0.0073 0.0283 0.0386
Echinococcus granulosus p2X purinoceptor 4 0.0385 0.2264 0.2264
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Schistosoma mansoni NADPH flavin oxidoreductase 0.0324 0.1875 0.1819
Echinococcus multilocularis p2X purinoceptor 4 0.0385 0.2264 0.2354
Leishmania major cytochrome P450 reductase, putative 0.057 0.3436 0.4689
Loa Loa (eye worm) FAD binding domain-containing protein 0.0397 0.2339 0.3192
Loa Loa (eye worm) hypothetical protein 0.0643 0.39 0.5322
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0114 0.0546 0.048
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0073 0.0283 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0054 0.0162 0.0168
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Brugia malayi FAD binding domain containing protein 0.0643 0.39 0.5322
Brugia malayi hypothetical protein 0.0054 0.0162 0.0221
Brugia malayi photoreceptor-specific nuclear receptor 0.0114 0.0546 0.0745
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0114 0.0546 0.0568
Schistosoma mansoni RAR-like nuclear receptor 0.0114 0.0546 0.048
Plasmodium vivax hypothetical protein, conserved 0.0246 0.138 0.3538
Entamoeba histolytica type A flavoprotein, putative 0.0246 0.138 0.1883
Brugia malayi hypothetical protein 0.0054 0.0162 0.0221
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1183 0.7328 0.731
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0643 0.39 0.5322
Leishmania major nitrate reductase, putative 0.0073 0.0283 0.0386
Schistosoma mansoni tar DNA-binding protein 0.0069 0.026 0.0192
Echinococcus multilocularis nuclear receptor nhr 48 0.0054 0.0162 0.0168
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Brugia malayi RNA binding protein 0.0069 0.026 0.0354
Schistosoma mansoni tar DNA-binding protein 0.0069 0.026 0.0192
Leishmania major NADH-dependent fumarate reductase-like protein 0.0073 0.0283 0.0386
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0246 0.138 0.3538
Trichomonas vaginalis sulfite reductase, putative 0.0643 0.39 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0073 0.0283 0.0386
Schistosoma mansoni zinc finger protein 0.0054 0.0162 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0114 0.0546 0.0568
Schistosoma mansoni cytochrome P450 reductase 0.0643 0.39 0.3858
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1183 0.7328 1
Brugia malayi hypothetical protein 0.006 0.0203 0.0277
Loa Loa (eye worm) TAR-binding protein 0.0069 0.026 0.0354
Brugia malayi nuclear receptor RXR 0.006 0.0203 0.0277
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1543 0.9616 1
Entamoeba histolytica hypothetical protein 0.0039 0.0069 0.0094
Entamoeba histolytica type A flavoprotein, putative 0.0246 0.138 0.1883
Plasmodium vivax flavodoxin domain containing protein 0.057 0.3436 0.881
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0114 0.0546 0.0745
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0643 0.39 0.39
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.0073 0.0283 0.0725
Schistosoma mansoni thyroid hormone receptor 0.0114 0.0546 0.048
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0114 0.0546 0.0745
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0137 0.0143
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Brugia malayi nuclear receptor NHR-67 0.0054 0.0162 0.0221
Echinococcus granulosus cytochrome b5 reductase 4 0.0073 0.0283 0.0283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0137 0.0068
Brugia malayi nuclear receptor NHR-88 0.0054 0.0162 0.0221
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0054 0.0162 0.0168
Brugia malayi conserved hypotetical protein 0.0054 0.0162 0.0221
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0114 0.0546 0.048
Brugia malayi nuclear hormone receptor 0.0114 0.0546 0.0745
Schistosoma mansoni steroid hormone receptor ad4bp 0.0114 0.0546 0.048
Loa Loa (eye worm) hypothetical protein 0.0049 0.013 0.0178
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0246 0.138 0.1883
Entamoeba histolytica type A flavoprotein, putative 0.0246 0.138 0.1883
Echinococcus multilocularis transcription factor Dp 1 0.0685 0.4166 0.4332
Trypanosoma cruzi oxidoreductase-protein, putative 0.0073 0.0283 0.0386
Echinococcus multilocularis p2X purinoceptor 4 0.0385 0.2264 0.2354
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0246 0.138 0.3538
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0054 0.0162 0.0221
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0073 0.0283 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Schistosoma mansoni tar DNA-binding protein 0.0069 0.026 0.0192
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0054 0.0162 0.0221
Brugia malayi nuclear hormone receptor family member nhr-6 0.0054 0.0162 0.0221
Echinococcus granulosus nuclear receptor nhr 48 0.0054 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0137 0.0187
Loa Loa (eye worm) hypothetical protein 0.006 0.0203 0.0277
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0073 0.0283 0.0386
Loa Loa (eye worm) hypothetical protein 0.0114 0.0546 0.0745
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0397 0.2339 0.2286
Trypanosoma cruzi nitrate reductase, putative 0.0073 0.0283 0.0386
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0073 0.0283 0.0386
Brugia malayi nuclear hormone receptor family member odr-7 0.0054 0.0162 0.0221
Echinococcus multilocularis geminin 0.0353 0.2063 0.2145
Loa Loa (eye worm) hypothetical protein 0.0054 0.0162 0.0221
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0114 0.0546 0.0745
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0643 0.39 0.5322
Brugia malayi ecdysteroid receptor 0.0114 0.0546 0.0745
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0114 0.0546 0.0568
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0643 0.39 0.39
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0114 0.0546 0.0568
Mycobacterium tuberculosis Possible oxygenase 0.0073 0.0283 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0038 0.0051
Echinococcus multilocularis p2X purinoceptor 4 0.0385 0.2264 0.2354
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0114 0.0546 0.0568

Activities

Activity type Activity value Assay description Source Reference
logP (ADMET) = 2.94 Partition coefficient (logP) ChEMBL. 3625711
MIC (functional) = 1.2 uM ml-1 Antimicrobial activity against Microsporum canis(ATCC 11621) was determined ChEMBL. 3625711
MIC (functional) = 2 uM ml-1 Antimicrobial activity against Streptococcus pyogenes A(IVM P 134) was determined ChEMBL. 3625711
MIC (functional) = 16 uM ml-1 Antimicrobial activity against Staphylococcus aureus(ATCC 6538) was determined ChEMBL. 3625711

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

1 literature reference was collected for this gene.

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