Detailed information for compound 1805464

Basic information

Technical information
  • TDR Targets ID: 1805464
  • Name: ethyl 3-[2-(phenylmethylcarbamoyloxy)butoxy]b enzoate
  • MW: 371.427 | Formula: C21H25NO5
  • H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)OCC(OC(=O)NCc1ccccc1)CC
  • InChi: 1S/C21H25NO5/c1-3-18(27-21(24)22-14-16-9-6-5-7-10-16)15-26-19-12-8-11-17(13-19)20(23)25-4-2/h5-13,18H,3-4,14-15H2,1-2H3,(H,22,24)
  • InChiKey: QMRJXGISAOOXKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-[oxo-(phenylmethylamino)methoxy]butoxy]benzoic acid ethyl ester
  • 3-[2-(benzylcarbamoyloxy)butoxy]benzoic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2) 15-cis-phytoene desaturase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible oxidoreductase Get druggable targets OG5_136205 All targets in OG5_136205
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
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0157 0.0697
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0157 0.0157
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0157 0.0157
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0057 0.0335
Echinococcus granulosus aryl hydrocarbon receptor 0.0014 0.0045 0.0045
Echinococcus multilocularis ubiquitin specific protease 41 0.0041 0.0406 0.0406
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0092 0.0984
Loa Loa (eye worm) hypothetical protein 0.0015 0.0057 0.0254
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0198 0.4039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0157 0.0697
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0406 0.0406
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0092 0.0092
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0157 0.0157
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0157 0.0157
Brugia malayi hypothetical protein 0.018 0.2258 1
Schistosoma mansoni cpg binding protein 0.0032 0.0282 0.0282
Onchocerca volvulus 0.0014 0.0045 0.0364
Echinococcus granulosus lysosomal alpha glucosidase 0.018 0.2254 0.2254
Loa Loa (eye worm) hypothetical protein 0.006 0.0654 0.2898
Onchocerca volvulus 0.0032 0.0282 0.2263
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0017 0.0017
Mycobacterium ulcerans oxidoreductase 0.0025 0.0196 0.3975
Echinococcus granulosus lamin dm0 0.006 0.0654 0.0654
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0059 0.064 0.2834
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0157 0.0157
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0196 0.0196
Echinococcus multilocularis lysosomal alpha glucosidase 0.018 0.2254 0.2254
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0075
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0198 0.0878
Mycobacterium leprae Conserved hypothetical protein 0.0016 0.0069 0.1555
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0157 0.0697
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0057 0.0335
Brugia malayi hypothetical protein 0.0025 0.0196 0.0867
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0196 1
Echinococcus granulosus lamin 0.006 0.0654 0.0654
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0196 1
Brugia malayi SWIRM domain containing protein 0.0025 0.0196 0.0867
Echinococcus multilocularis lysosomal alpha glucosidase 0.018 0.2254 0.2254
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0092 0.0389
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0137 0.0609
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0025 0.0196 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0196 0.0867
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0157 0.0697
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0157 0.0157
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0196 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0391 0.9577
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0157 0.0157
Schistosoma mansoni coup transcription factor 0.0022 0.0157 0.0157
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0406 0.0406
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0157 0.0697
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0198 0.0878
Trypanosoma brucei glucosidase, putative 0.004 0.0391 0.9562
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0157 0.0697
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0157 0.0157
Brugia malayi Cytochrome P450 family protein 0.0025 0.0198 0.0878
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0137 0.2555
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0282 0.1247
Brugia malayi CXXC zinc finger family protein 0.0032 0.0282 0.1247
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0069 0.0649
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0198 0.4239
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0157 0.0697
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0659 1
Brugia malayi nuclear receptor RXR 0.0012 0.0017 0.0075
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0041 0.0406 1
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0198 0.4239
Brugia malayi isocitrate dehydrogenase 0.0017 0.0092 0.0406
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0157 0.0697
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0391 0.5455
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0041 0.0406 0.0406
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0157 0.0697
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0092 0.0092
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0391 0.1731
Loa Loa (eye worm) hypothetical protein 0.0028 0.0229 0.1012
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0025 0.0196 0.3975
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0016 0.0069 0.0649
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0014 0.0045 0.0045
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0391 0.9577
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0075
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0057 0.0254
Schistosoma mansoni aryl hydrocarbon receptor 0.0054 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0025 0.0196 0.0867
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0391 0.9577
Loa Loa (eye worm) hypothetical protein 0.0025 0.0196 0.0867
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0137 0.2555
Schistosoma mansoni cytochrome P450 0.0016 0.0069 0.0069
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0196 0.0196
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0157 0.0697
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0157 0.0697
Loa Loa (eye worm) hypothetical protein 0.0025 0.0196 0.0867
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0137 0.5
Schistosoma mansoni alpha glucosidase 0.004 0.0391 0.0391
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0391 0.9577
Toxoplasma gondii exonuclease III APE 0.0021 0.0137 0.1164
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0196 0.4174
Onchocerca volvulus 0.0022 0.0157 0.1265
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0157 0.0697
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0391 0.9577
Brugia malayi hypothetical protein 0.0012 0.0017 0.0075
Loa Loa (eye worm) hypothetical protein 0.0025 0.0196 0.0867
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0157 0.0697
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.0057 0.0335
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0057 0.0335
Echinococcus multilocularis 0.0025 0.0196 0.0196
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0196 0.4174
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0157 0.0697
Leishmania major cytochrome p450-like protein 0.0016 0.0069 0.0649
Onchocerca volvulus 0.0104 0.1244 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0017 0.0075
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0092 0.1286
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0196 0.0196
Schistosoma mansoni microtubule-associated protein tau 0.0761 1 1
Brugia malayi bHLH-PAS transcription factor 0.004 0.0389 0.1721
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0041 0.0406 0.0406
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0755 0.0755
Schistosoma mansoni ap endonuclease 0.0021 0.0137 0.0137
Mycobacterium leprae putative cytochrome p450 0.0016 0.0069 0.1555
Loa Loa (eye worm) hypoxia-induced factor 1 0.0166 0.2072 0.9177
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0196 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0157 0.0697
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0137 0.0609
Echinococcus multilocularis geminin 0.0187 0.235 0.235
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0406 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0198 0.0878
Leishmania major cytochrome p450-like protein 0.0016 0.0069 0.0649
Schistosoma mansoni alpha-glucosidase 0.0155 0.192 0.192
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0157 0.0697
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0157 0.0157
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0157 0.0157
Brugia malayi Cytochrome P450 family protein 0.0016 0.0069 0.0304
Schistosoma mansoni cpg binding protein 0.0033 0.0306 0.0306
Brugia malayi nuclear hormone receptor 0.0022 0.0157 0.0697
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0406 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0157 0.1265
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0157 0.1265
Echinococcus multilocularis lamin 0.006 0.0654 0.0654
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0157 0.0697
Echinococcus multilocularis 0.0016 0.0069 0.0069
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.0016 0.0069 0.0069
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0015 0.0057 0.0461
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0196 0.0176
Leishmania major cytochrome p450-like protein 0.0025 0.0198 0.4239
Schistosoma mansoni amine oxidase 0.0025 0.0196 0.0196
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0057 0.0335
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0157 0.0157
Brugia malayi hypothetical protein 0.0012 0.0017 0.0075
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0389 0.0389
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0092 0.0984
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0406 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0157 0.0157
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0391 0.1731
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0157 0.0697
Brugia malayi cytoplasmic intermediate filament protein 0.0032 0.0285 0.1264
Echinococcus granulosus ubiquitin specific protease 41 0.0041 0.0406 0.0406
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0196 0.0867
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0017 0.0075
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0391 0.9577
Schistosoma mansoni ap endonuclease 0.0021 0.0137 0.0137
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0092 0.0092
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0157 0.0697
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0017 0.0017
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0196 0.3975
Brugia malayi steroid hormone receptor 0.0022 0.0157 0.0697
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0075
Onchocerca volvulus 0.004 0.0389 0.3123
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0391 0.9577
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0137 0.2297
Echinococcus multilocularis cpg binding protein 0.0033 0.0306 0.0306
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0196 1
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0157 0.0157
Echinococcus granulosus cpg binding protein 0.0033 0.0306 0.0306
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0137 0.4393
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0391 0.9577
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0391 0.9577
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0157 0.0157
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0406 1
Echinococcus multilocularis musashi 0.006 0.0654 0.0654
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0391 0.9577
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0196 0.0196
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0196 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0014 0.0045 0.0201
Loa Loa (eye worm) hypothetical protein 0.0028 0.0229 0.1012
Leishmania major UDP-galactopyranose mutase 0.0025 0.0196 0.4174
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0157 0.0157
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0017 0.0017
Mycobacterium ulcerans putative regulatory protein 0.004 0.0389 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0243 0.1077
Schistosoma mansoni cpg binding protein 0.0033 0.0306 0.0306
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0198 0.0878
Trichomonas vaginalis maltase-glucoamylase, putative 0.0015 0.0057 0.0335
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0092 0.0092
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.0654 0.2898
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0391 0.9577
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0041 0.0406 0.0406
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0017 0.0075
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0137 0.4393
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0137 0.0095
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.0654 0.2898
Mycobacterium ulcerans dehydrogenase 0.0025 0.0196 0.3975
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0092 0.0406
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0027 0.0222 0.259
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0157 0.0157
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0157 0.0157
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0041 0.0406 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.018 0.2258 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0157 0.0697
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.0187 0.235 0.235
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0157 0.0157
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0069 0.0069
Brugia malayi Glycosyl hydrolases family 31 protein 0.018 0.2254 0.9982
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0196 0.3975
Loa Loa (eye worm) hypothetical protein 0.0025 0.0196 0.0867
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0092 0.0032
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0157 0.1265
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0025 0.0196 0.3975
Echinococcus granulosus single minded 2 0.004 0.0389 0.0389
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0196 0.2154
Brugia malayi intermediate filament protein 0.006 0.0654 0.2898
Brugia malayi Cytochrome P450 family protein 0.0037 0.0351 0.1553
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0032 0.0285 0.1264
Brugia malayi ecdysteroid receptor 0.0022 0.0157 0.0697
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Echinococcus granulosus intermediate filament protein 0.006 0.0654 0.0654
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0017 0.0017
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0157 0.0157
Schistosoma mansoni lamin 0.006 0.0654 0.0654
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0092 0.0092
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0029 0.0243 0.0243
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0057 0.0335
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0092 0.0092
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0157 0.0157
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.0406 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0391 0.9562
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0041 0.0406 0.0406
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0196 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0137 0.0137
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0198 0.4048
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.0057 0.0335
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0137 0.2297
Echinococcus granulosus dnaJ subfamily B 0.0451 0.587 0.587
Schistosoma mansoni intermediate filament proteins 0.006 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0201
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0391 0.9562
Brugia malayi PAS domain containing protein 0.0054 0.0574 0.2544
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0196 1
Schistosoma mansoni alpha-glucosidase 0.0155 0.192 0.192
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.0041 0.0406 0.1798
Loa Loa (eye worm) cytochrome P450 0.0016 0.0069 0.0304
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0041 0.0406 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0016 0.0069 0.0649
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0157 0.0697
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0157 0.0697
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0196 0.0196
Brugia malayi hypoxia-induced factor 1 0.0166 0.2072 0.9177
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0391 0.9577
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0137 0.2555
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0157 0.0697
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0075
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0092 0.1286
Echinococcus multilocularis lamin dm0 0.006 0.0654 0.0654
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0092 0.1286
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0391 0.0391
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.0351 0.1553
Loa Loa (eye worm) hypothetical protein 0.0022 0.0157 0.0697
Onchocerca volvulus 0.0025 0.0196 0.1574
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0196 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.0057 0.0335
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0014 0.0045 0.0045
Brugia malayi nuclear receptor NHR-88 0.0022 0.0157 0.0697
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0075
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0092 0.0389
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0069 0.0649
Leishmania major glycosyl hydrolase-like protein 0.0015 0.0057 0.0335
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0137 0.2149
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0157 0.0157
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0092 0.0406
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0157 0.0157
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0137 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0157 0.0157
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.018 0.2254 0.9982
Echinococcus multilocularis aryl hydrocarbon receptor 0.0014 0.0045 0.0045
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0057 0.0335
Schistosoma mansoni amine oxidase 0.0025 0.0196 0.0196
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0137 0.2555
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0137 0.0137
Echinococcus granulosus geminin 0.0187 0.235 0.235
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0029 0.0243 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0157 0.0697
Brugia malayi cytochrome P450 0.0016 0.0069 0.0304
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0187 0.235 0.235
Echinococcus multilocularis microtubule associated protein 2 0.0761 1 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.0069 0.0325
Echinococcus multilocularis dnaJ subfamily B 0.0451 0.587 0.587
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0041 0.0406 0.1798
Mycobacterium tuberculosis Possible oxidoreductase 0.0558 0.7298 1
Schistosoma mansoni lamin 0.006 0.0654 0.0654
Loa Loa (eye worm) intermediate filament protein 0.006 0.0654 0.2898
Schistosoma mansoni single-minded 0.0054 0.0574 0.0574
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0157 0.0157
Onchocerca volvulus 0.006 0.0654 0.5259
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0137 0.2555
Onchocerca volvulus 0.006 0.0654 0.5259
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0041 0.0406 1
Schistosoma mansoni hypothetical protein 0.0451 0.587 0.587
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0391 0.0391

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 4 Inhibition of Capsicum annuum (pepper) zeta-carotene desaturase expressed in Escherichia coli using zeta-carotene as substrate after 8 hr by Dixon plot analysis ChEMBL. 12720390
IC50 (binding) = 6.9 Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichia coli JM101 using phytoene as substrate after 8 hr by Dixon plot analysis ChEMBL. 12720390

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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