Detailed information for compound 1841267

Basic information

Technical information
  • TDR Targets ID: 1841267
  • Name: 4-(3,4-dihydroxyphenyl)butan-2-yl (E)-3-(3,4- dihydroxyphenyl)prop-2-enoate
  • MW: 344.359 | Formula: C19H20O6
  • H donors: 4 H acceptors: 5 LogP: 3.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)/C=C/c1ccc(c(c1)O)O)CCc1ccc(c(c1)O)O
  • InChi: 1S/C19H20O6/c1-12(2-3-13-4-7-15(20)17(22)10-13)25-19(24)9-6-14-5-8-16(21)18(23)11-14/h4-12,20-23H,2-3H2,1H3/b9-6+
  • InChiKey: JUZFAKSVZZEOIL-RMKNXTFCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-(3,4-dihydroxyphenyl)-1-methyl-propyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
  • (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid [3-(3,4-dihydroxyphenyl)-1-methylpropyl] ester
  • (E)-3-(3,4-dihydroxyphenyl)acrylic acid [3-(3,4-dihydroxyphenyl)-1-methyl-propyl] ester

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
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0427 0.0364
Echinococcus granulosus nervana 2 0.0013 0.0061 0.0044
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0288 1 0.5
Echinococcus multilocularis GPCR, family 2 0.0015 0.011 0.0093
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.01 0.3212 0.3168
Entamoeba histolytica PH domain containing protein kinase, putative 0.0015 0.0114 0.164
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.01 0.3212 0.2993
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0487 0.0425
Plasmodium vivax ataxin-2 like protein, putative 0.0023 0.0427 0.0364
Loa Loa (eye worm) hypothetical protein 0.0032 0.0726 0.0726
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0427 0.0364
Echinococcus granulosus lamin dm0 0.0025 0.0487 0.0471
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0288 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.022 0.7547 0.7543
Onchocerca volvulus 0.0045 0.1203 0.263
Brugia malayi hypothetical protein 0.0023 0.0427 0.0365
Loa Loa (eye worm) hypothetical protein 0.0023 0.0427 0.0427
Brugia malayi Protein kinase domain containing protein 0.0022 0.036 0.0297
Entamoeba histolytica protein kinase, putative 0.0022 0.036 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0288 1 0.5
Echinococcus granulosus survival motor neuron protein 1 0.022 0.7547 0.7543
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0487 0.0487
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0288 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0023 0.0427 0.007
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0013 0.0065 0.0065
Toxoplasma gondii type I fatty acid synthase, putative 0.01 0.3212 0.2993
Entamoeba histolytica protein kinase, putative 0.0022 0.036 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0013 0.0066 0.0049
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 2 KasB (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0188 0.6366 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.01 0.3212 0.3168
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0487 0.0487
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0013 0.0061 0.0044
Loa Loa (eye worm) AGC/AKT protein kinase 0.0022 0.036 0.036
Echinococcus multilocularis lamin dm0 0.0025 0.0487 0.0471
Onchocerca volvulus Fatty acid synthase homolog 0.01 0.3212 1
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0288 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0015 0.0114 0.0005
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.01 0.3212 0.2993
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0288 1 1
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0726 0.0666
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.1258 0.1258
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0023 0.0427 0.0119
Loa Loa (eye worm) hypothetical protein 0.01 0.3212 0.3212
Loa Loa (eye worm) hypothetical protein 0.0015 0.011 0.011
Echinococcus granulosus Glutaredoxin protein 5 0.0013 0.0061 0.0044
Trypanosoma cruzi Protein kinase B 0.0015 0.0114 0.0049
Loa Loa (eye worm) hypothetical protein 0.0025 0.047 0.047
Brugia malayi p70 ribosomal S6 kinase beta 0.002 0.0312 0.0249
Schistosoma mansoni hypothetical protein 0.0158 0.5288 0.5236
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0288 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0015 0.0114 0.164
Echinococcus multilocularis musashi 0.0025 0.0487 0.0471
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0013 0.0061 0.0044
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.011 0.0093
Schistosoma mansoni hypothetical protein 0.0032 0.0726 0.0624
Echinococcus granulosus lamin 0.0025 0.0487 0.0471
Schistosoma mansoni hypothetical protein 0.0045 0.1203 0.1106
Echinococcus multilocularis nervana 2 0.0013 0.0061 0.0044
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.1258 0.1201
Echinococcus multilocularis rac serine:threonine kinase 0.0015 0.0114 0.0098
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.011 0.0093
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0288 1 1
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0288 1 1
Echinococcus multilocularis nervana 2 0.0013 0.0061 0.0044
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.002 0.0312 0.0312
Echinococcus multilocularis lamin 0.0025 0.0487 0.0471
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0045 0.1203 0.1146
Loa Loa (eye worm) hypothetical protein 0.0046 0.1258 0.1258
Loa Loa (eye worm) hypothetical protein 0.0025 0.0487 0.0487
Echinococcus granulosus nervana 2 0.0013 0.0061 0.0044
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.011 0.0093
Mycobacterium leprae 3-oxoacyl-[acyl-carrier-protein] synthase 1 KasA (BETA-KETOACYL-ACP SYNTHASE) (KAS I) 0.0188 0.6366 1
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0288 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0015 0.0114 0.0098
Giardia lamblia Kinase, AGC PKA 0.0013 0.0066 0.5
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0288 1 1
Schistosoma mansoni lamin 0.0025 0.0487 0.0381
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0288 1 1
Brugia malayi hypothetical protein 0.0015 0.0126 0.0062
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0017
Brugia malayi Latrophilin receptor protein 2 0.0015 0.011 0.0045
Echinococcus granulosus geminin 0.0158 0.5288 0.528
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0013 0.0066 0.0049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.011 0.0045
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0288 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0023 0.0427 0.0364
Brugia malayi intermediate filament protein 0.0025 0.0487 0.0425
Loa Loa (eye worm) hypothetical protein 0.01 0.3212 0.3212
Entamoeba histolytica protein kinase, putative 0.002 0.0312 0.836
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.1258 0.1201
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0015 0.0114 0.0049
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0288 1 1
Echinococcus granulosus intermediate filament protein 0.0025 0.0487 0.0471
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 1 KasA (beta-ketoacyl-ACP synthase) (KAS I) 0.0188 0.6366 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier protein] synthase 2 KasB (beta-ketoacyl-ACP synthase) (KAS I) 0.0188 0.6366 1
Echinococcus multilocularis geminin 0.0158 0.5288 0.528
Schistosoma mansoni serine/threonine-protein kinase 0.0015 0.0114 0.0005
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.011 0.0093
Echinococcus granulosus GPCR family 2 0.0015 0.011 0.0093
Plasmodium falciparum ataxin-2 like protein, putative 0.0023 0.0427 0.0364
Schistosoma mansoni lamin 0.0025 0.0487 0.0381
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.011 0.011
Brugia malayi hypothetical protein 0.022 0.7547 0.7531
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Schistosoma mansoni intermediate filament proteins 0.0025 0.0487 0.0381
Trichomonas vaginalis AGC family protein kinase 0.0022 0.036 0.5
Schistosoma mansoni survival motor neuron protein 0.0045 0.1203 0.1106
Echinococcus granulosus serine threonine protein kinase nrc 0.0013 0.0066 0.0049
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0288 1 1
Schistosoma mansoni hypothetical protein 0.0158 0.5288 0.5236
Onchocerca volvulus 0.01 0.3212 1
Toxoplasma gondii type I fatty acid synthase, putative 0.01 0.3212 0.2993
Loa Loa (eye worm) hypothetical protein 0.022 0.7547 0.7547
Echinococcus multilocularis Glutaredoxin protein 5 0.0013 0.0061 0.0044

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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