Detailed information for compound 714407

Basic information

Technical information
  • TDR Targets ID: 714407
  • Name: 4-(2-morpholin-4-ylethoxy)benzonitrile
  • MW: 232.278 | Formula: C13H16N2O2
  • H donors: 0 H acceptors: 1 LogP: 1.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)OCCN1CCOCC1
  • InChi: 1S/C13H16N2O2/c14-11-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-10H2
  • InChiKey: KQTJRPZKCNRDQC-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(2-morpholinoethoxy)benzonitrile
  • CC 42116

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
Loa Loa (eye worm) hypothetical protein 0.0025 0.0072 0.0051
Echinococcus multilocularis muscleblind protein 1 0.0149 0.1077 0.0622
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0073 0.1112
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0486 0.5
Echinococcus granulosus geminin 0.018 0.133 0.0887
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0073 0.1112
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.0486 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0073 0.1112
Brugia malayi Muscleblind-like protein 0.0149 0.1077 0.1077
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0073 0.0012
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0072 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0486 0.1445
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0072 1
Schistosoma mansoni hypothetical protein 0.018 0.133 0.0887
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0486 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0073 0.0073
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.0486 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1196 0.118
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0377 0.2934 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0076 0.0486 1
Brugia malayi Inositol-1 0.0076 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0149 0.1077 0.106
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0073 0.0073
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0486 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0073 0.1112
Loa Loa (eye worm) hypothetical protein 0.0025 0.0073 0.0052
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0073 0.1112
Brugia malayi hypothetical protein 0.0163 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0375 0.2919 0.2908
Onchocerca volvulus 0.0163 0.1196 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.018 0.133 0.0887
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0021 0.0204
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1247 1 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0377 0.2934 1
Schistosoma mansoni protein kinase 0.1247 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0073 0.0052
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0377 0.2934 0.2924
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0073 0.0012
Echinococcus granulosus muscleblind protein 0.0149 0.1077 0.0622
Loa Loa (eye worm) hypothetical protein 0.0149 0.1077 0.106
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.0486 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0073 0.1112
Brugia malayi hypothetical protein 0.0025 0.0072 0.0072
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0076 0.0486 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0486 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0073 0.1112
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1247 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0073 0.1112
Schistosoma mansoni protein kinase 0.1247 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0486 0.1445
Loa Loa (eye worm) hypothetical protein 0.0025 0.0073 0.0052
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0073 0.0012
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0021 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.0421 1
Echinococcus multilocularis muscleblind protein 0.0149 0.1077 0.0622
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0073 0.147
Echinococcus multilocularis geminin 0.018 0.133 0.0887
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0072 1
Loa Loa (eye worm) inositol-1 0.0076 0.0486 0.0466
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.0421 1
Loa Loa (eye worm) hypothetical protein 0.1245 0.9985 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0073 0.147

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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