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  

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

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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