Detailed information for compound 1799483

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 230.158 | Formula: C8H11N2O4P
  • H donors: 3 H acceptors: 5 LogP: -1.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccn1)CCP(=O)(O)O
  • InChi: 1S/C8H11N2O4P/c11-8(4-6-15(12,13)14)10-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,9,10,11)(H2,12,13,14)
  • InChiKey: JAGQDRZASHYROX-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0121 0.7128 0.7128
Schistosoma mansoni pyruvate dehydrogenase 0.0114 0.6621 0.7947
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0676 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0663 0.0795
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1683 0.1683
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0676 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.1711 0.5
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0121 0.7128 0.7128
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0042 0.1202 0.0815
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0676 0.5
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0042 0.1202 0.0815
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0523 0.0523
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0042 0.1202 0.0815
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0663 0.0663
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0676 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0676 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1683 0.1683
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0663 0.0663
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0121 0.7128 0.7128
Brugia malayi kinase, mitochondrial precursor 0.0121 0.7128 0.7128
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.1711 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0676 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.1711 0.1604
Loa Loa (eye worm) hypothetical protein 0.0121 0.7128 0.7128
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0663 0.0795
Brugia malayi hypothetical protein 0.0035 0.0663 0.0663
Brugia malayi hypothetical protein 0.0049 0.1711 0.1711
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.1711 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.0121 0.7128 0.8555
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1711 0.1711
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1683 0.1683
Loa Loa (eye worm) hypothetical protein 0.0033 0.0523 0.0523
Onchocerca volvulus 0.0092 0.4947 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0676 0.0676
Schistosoma mansoni pyruvate dehydrogenase 0.0114 0.6621 0.7947
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.1711 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 1 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.8331 1
Leishmania major hypothetical protein, conserved 0.0049 0.1711 0.1604
Loa Loa (eye worm) hypothetical protein 0.0049 0.1683 0.1683
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0042 0.1202 0.5082
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.1711 0.1604
Brugia malayi hypothetical protein 0.0032 0.0401 0.0401
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0676 0.0676
Schistosoma mansoni alpha glucosidase 0.0035 0.0676 0.0811
Schistosoma mansoni hypothetical protein 0.0033 0.0523 0.0628
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0049 0.1708 0.9979
Trypanosoma brucei developmentally regulated phosphoprotein 0.0121 0.7128 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0676 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0676 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0676 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0676 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.1711 0.1604
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0121 0.7128 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0676 0.0676
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0676 0.5
Schistosoma mansoni alpha-glucosidase 0.0136 0.8331 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.0121 0.7128 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0676 0.0676

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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