Detailed information for compound 452123

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.256 | Formula: C14H12N2O4
  • H donors: 4 H acceptors: 4 LogP: 2.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc(/C=N/NC(=O)c2ccccc2O)ccc1O
  • InChi: 1S/C14H12N2O4/c17-11-4-2-1-3-10(11)14(20)16-15-8-9-5-6-12(18)13(19)7-9/h1-8,17-19H,(H,16,20)/b15-8+
  • InChiKey: AGGRVUVLUGVNPX-OVCLIPMQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neurotrophic tyrosine kinase, receptor, type 1 References

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 cruzi Macro domain containing protein, putative 0.0014 0.5 0.5
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0014 0.5 0.5
Trypanosoma brucei Macro domain containing protein, putative 0.0014 0.5 0.5
Echinococcus granulosus MACRO domain containing protein 2 0.0014 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.5 0.5
Echinococcus multilocularis MACRO domain containing protein 2 0.0014 0.5 0.5
Echinococcus multilocularis MACRO domain containing protein 2 0.0014 0.5 0.5
Mycobacterium ulcerans lipoprotein LppD 0.0014 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0014 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.5 0.5
Mycobacterium tuberculosis Possible lipoprotein LppD 0.0014 0.5 0.5
Echinococcus granulosus MACRO domain containing protein 2 0.0014 0.5 0.5
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0014 0.5 0.5
Giardia lamblia Protein LRP16 0.0014 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0014 0.5 0.5
Plasmodium falciparum Appr-1-p processing domain protein 0.0014 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0014 0.5 0.5
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0014 0.5 0.5
Trypanosoma cruzi Macro domain containing protein, putative 0.0014 0.5 0.5
Toxoplasma gondii macro domain-containing protein 0.0014 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.545 uM Inhibition of human N- terminal GST-tagged TrkA cytoplasmic domain (436 to 790 residues) expressed in baculovirus infected sf21 cells using biotinylated peptide substrate incubated for 15 mins followed by addition of ATP measured after 30 mins by TR-FRET assay LITERATURE. 27856237
IC50 (binding) = 26 uM Inhibition of HIV1 integrase strand transfer activity ChEMBL. 17502148
IC50 (binding) = 26 uM Inhibition of HIV1 integrase strand transfer activity ChEMBL. 17502148
IC50 (binding) = 70 uM Inhibition of HIV1 integrase 3'-end processing activity ChEMBL. 17502148
IC50 (binding) = 70 uM Inhibition of HIV1 integrase 3'-end processing activity ChEMBL. 17502148
Inhibition (binding) = 92.88 % Inhibition of human N- terminal GST-tagged TrkA cytoplasmic domain (436 to 790 residues) expressed in baculovirus infected sf21 cells at 1 uM using biotinylated peptide substrate incubated for 15 mins followed by addition of ATP measured after 30 mins by TR-FRET assay relative to control LITERATURE. 27856237

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

2 literature references were collected for this gene.

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