Detailed information for compound 1469411

Basic information

Technical information
  • TDR Targets ID: 1469411
  • Name: 1-(1,3-benzodioxol-5-yloxy)-3-diethylaminopro pan-2-ol
  • MW: 267.321 | Formula: C14H21NO4
  • H donors: 1 H acceptors: 1 LogP: 1.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CC(COc1ccc2c(c1)OCO2)O)CC
  • InChi: 1S/C14H21NO4/c1-3-15(4-2)8-11(16)9-17-12-5-6-13-14(7-12)19-10-18-13/h5-7,11,16H,3-4,8-10H2,1-2H3
  • InChiKey: LQHAKJFBKRVIHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,3-benzodioxol-5-yloxy)-3-diethylamino-propan-2-ol
  • Oprea1_576140
  • Oprea1_026757
  • T0502-1709

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
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0479 0.7176 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0069 0.0044
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0069 0.0382
Schistosoma mansoni microsomal glutathione s-transferase 0.011 0.159 0.217
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0666 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0067 0.0372
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0222 0.0286
Entamoeba histolytica fatty acid elongase, putative 0.0087 0.1237 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0057 0.0025
Schistosoma mansoni cpg binding protein 0.0032 0.0407 0.0512
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0069 0.0044
Schistosoma mansoni hypothetical protein 0.0019 0.0222 0.0253
Schistosoma mansoni cpg binding protein 0.003 0.0381 0.0476
Brugia malayi MH2 domain containing protein 0.0008 0.0057 0.0316
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0222 0.0286
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0222 0.0286
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0225 0.029
Schistosoma mansoni loxhd1 0.0019 0.0222 0.0253
Brugia malayi hypothetical protein 0.0019 0.0222 0.1228
Schistosoma mansoni hypothetical protein 0.0425 0.6361 0.8857
Onchocerca volvulus 0.003 0.0381 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0057 0.0022
Echinococcus multilocularis cpg binding protein 0.0032 0.0407 0.0578
Schistosoma mansoni lipoxygenase 0.0116 0.168 0.2296
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0225 0.5
Schistosoma mansoni polycystin 1-related 0.0019 0.0222 0.0253
Brugia malayi Doublecortin family protein 0.0019 0.0222 0.1228
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0225 0.029
Echinococcus multilocularis dnaJ subfamily B 0.0425 0.6361 1
Echinococcus granulosus RUN 0.0019 0.0222 0.0286
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0057 0.0025
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0887 0.1185
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0057 0.0025
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0666 1 1
Brugia malayi Smad1 0.0008 0.0057 0.0316
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0225 0.1245
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0225 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0222 0.0286
Schistosoma mansoni ap endonuclease 0.002 0.0225 0.0257
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0225 0.5
Echinococcus multilocularis Smad4 0.0008 0.0057 0.0025
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0225 0.1245
Entamoeba histolytica fatty acid elongase, putative 0.0087 0.1237 1
Brugia malayi MH2 domain containing protein 0.0124 0.1807 1
Echinococcus multilocularis smad 0.0008 0.0057 0.0025
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0222 0.0286
Brugia malayi CXXC zinc finger family protein 0.003 0.0381 0.2108
Schistosoma mansoni ap endonuclease 0.002 0.0225 0.0257
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1807 1
Schistosoma mansoni cpg binding protein 0.0032 0.0407 0.0512
Schistosoma mansoni smad1 5 8 and 0.0008 0.0057 0.0022
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0666 1 1
Schistosoma mansoni Smad4 0.0008 0.0057 0.0022
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0222 0.1228
Echinococcus granulosus smad 0.0008 0.0057 0.0025
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0666 1 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0057 0.0022
Schistosoma mansoni smad 0.0008 0.0057 0.0022
Brugia malayi hypothetical protein 0.0019 0.0222 0.1228
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0225 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0225 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0057 0.0025
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0057 0.0022
Echinococcus granulosus dnaJ subfamily B 0.0425 0.6361 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.168 0.2592
Toxoplasma gondii MAPEG family protein 0.011 0.159 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0057 0.0316
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0225 0.0003
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0225 1
Echinococcus multilocularis RUN 0.0019 0.0222 0.0286
Brugia malayi MH1 domain containing protein 0.0008 0.0057 0.0316
Loa Loa (eye worm) hypothetical protein 0.0019 0.0222 0.1228
Brugia malayi MH2 domain containing protein 0.0008 0.0057 0.0316
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0222 0.1228
Echinococcus multilocularis microsomal glutathione S transferase 3 0.011 0.159 0.2451
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0785 0.4101
Entamoeba histolytica fatty acid elongase, putative 0.0087 0.1237 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0381 0.2108
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.168 0.2592
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0225 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1807 1
Brugia malayi MH1 domain containing protein 0.0008 0.0057 0.0316
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0666 1 1
Echinococcus granulosus Smad4 0.0008 0.0057 0.0025
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0225 1
Entamoeba histolytica fatty acid elongase, putative 0.0087 0.1237 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0225 0.0003
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0057 0.0316
Schistosoma mansoni lipoxygenase 0.0081 0.1153 0.1558
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0666 1 1
Schistosoma mansoni rab6-interacting 0.0019 0.0222 0.0253
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0222 0.0286
Echinococcus granulosus cpg binding protein 0.0032 0.0407 0.0578
Loa Loa (eye worm) Smad1 0.0008 0.0057 0.0316
Schistosoma mansoni rab6-interacting 0.0019 0.0222 0.0253
Echinococcus granulosus microsomal glutathione S transferase 3 0.011 0.159 0.2451
Entamoeba histolytica fatty acid elongase, putative 0.0087 0.1237 1

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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