Detailed information for compound 1581017

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 349.383 | Formula: C20H19N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/c1cccnc1Oc1ccc2c(c1)cccc2)\N1CCOCC1
  • InChi: 1S/C20H19N3O3/c24-22-19(23-10-12-25-13-11-23)18-6-3-9-21-20(18)26-17-8-7-15-4-1-2-5-16(15)14-17/h1-9,14,24H,10-13H2/b22-19-
  • InChiKey: JEYXCVKJXGOSRN-QOCHGBHMSA-N  

Network

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Synonyms

No synonyms found for this compound

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 brucei carnitine O-palmitoyltransferase, putative 0.0696 0.1113 0.6718
Loa Loa (eye worm) hypothetical protein 0.0057 0.0031 0.0031
Brugia malayi Choline O-acetyltransferase 0.0696 0.1113 0.1113
Brugia malayi Choline O-acetyltransferase 0.0696 0.1113 0.1113
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0927 0.1504 0.2671
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0004 0.5
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0696 0.1113 0.1974
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.1113 0.1974
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0004 0.0004
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.1015 0.1655 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.3356 0.5621 1
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.1113 0.1974
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0031 0.0031
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0004 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0004 0.0004
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.1015 0.1655 0.2939
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0004 0.5
Loa Loa (eye worm) hypothetical protein 0.0696 0.1113 0.1113
Schistosoma mansoni hypothetical protein 0.0194 0.0262 0.2355
Leishmania major carnitine palmitoyltransferase-like protein 0.1015 0.1655 0.2939
Echinococcus multilocularis geminin 0.0194 0.0262 0.046
Onchocerca volvulus 0.0696 0.1113 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0004 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0004 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0696 0.1113 0.1113
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0696 0.1113 0.1974
Trypanosoma brucei hypothetical protein, conserved 0.0696 0.1113 0.6718
Echinococcus multilocularis choline O acetyltransferase 0.0696 0.1113 0.1974
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0004 0.5
Schistosoma mansoni alpha-glucosidase 0.016 0.0206 0.1847
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.1113 0.1974
Loa Loa (eye worm) hypothetical protein 0.5941 1 1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0696 0.1113 0.1974
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0031 0.0031
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0186 0.0249 0.0249
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0696 0.1113 0.1974
Loa Loa (eye worm) choline O-acetyltransferase 0.0696 0.1113 0.1113
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0004 0.5
Schistosoma mansoni choline o-acyltransferase 0.0696 0.1113 1
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.1015 0.1655 0.2939
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0696 0.1113 0.6718
Echinococcus multilocularis lysosomal alpha glucosidase 0.0186 0.0249 0.0437
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1015 0.1655 0.1655
Onchocerca volvulus 0.0696 0.1113 1
Schistosoma mansoni choline o-acyltransferase 0.0696 0.1113 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0186 0.0249 0.0437
Echinococcus multilocularis lysosomal alpha glucosidase 0.0186 0.0249 0.0437
Schistosoma mansoni alpha-glucosidase 0.016 0.0206 0.1847
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0004 0.5
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0696 0.1113 0.1974
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0004 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0004 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.3356 0.5621 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.3356 0.5621 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0031 0.0031
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.1015 0.1655 0.2939
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.1113 0.1974
Echinococcus granulosus choline O acetyltransferase 0.0696 0.1113 0.1974
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.1015 0.1655 0.1655
Onchocerca volvulus 0.0696 0.1113 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0186 0.0249 0.0249
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0004 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0696 0.1113 0.1113
Schistosoma mansoni hypothetical protein 0.0194 0.0262 0.2355
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.3356 0.5621 1
Trypanosoma cruzi hypothetical protein, conserved 0.0696 0.1113 0.1974
Echinococcus granulosus geminin 0.0194 0.0262 0.046
Onchocerca volvulus 0.0696 0.1113 1
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0696 0.1113 0.6718
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.3356 0.5621 1
Leishmania major carnitine/choline acetyltransferase, putative 0.0696 0.1113 0.1974
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0004 0.5
Schistosoma mansoni alpha glucosidase 0.0041 0.0004 0.0036

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 3 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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