Detailed information for compound 1833544

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.402 | Formula: C22H18N4O6
  • H donors: 3 H acceptors: 7 LogP: 2.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(c(c1=O)C(=O)NCC(=O)O)O
  • InChi: 1S/C22H18N4O6/c23-10-15-8-4-5-9-16(15)13-26-21(31)18(19(29)24-11-17(27)28)20(30)25(22(26)32)12-14-6-2-1-3-7-14/h1-9,30H,11-13H2,(H,24,29)(H,27,28)
  • InChiKey: UEOZAJMNEFXOAC-UHFFFAOYSA-N  

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 egl-9 family hypoxia-inducible factor 3 Starlite/ChEMBL 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
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0057 0.0357 0.0357
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0057 0.0357 0.0948
Trichomonas vaginalis starch branching enzyme II, putative 0.0057 0.0357 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0112 0.5
Entamoeba histolytica alpha-amylase family protein 0.0057 0.0357 0.0948
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Trichomonas vaginalis amylase, putative 0.0057 0.0357 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0057 0.0357 1
Entamoeba histolytica alpha-amylase, putative 0.0057 0.0357 0.0948
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0057 0.0357 1
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.024 0.27 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0057 0.0357 0.0357
Entamoeba histolytica beta/alpha-amylase precursor, putative 0.0057 0.0357 0.0948
Loa Loa (eye worm) hypothetical protein 0.0057 0.0357 0.0906
Entamoeba histolytica hypothetical protein 0.0057 0.0357 0.0948
Mycobacterium tuberculosis Maltooligosyltrehalose synthase TreY 0.0057 0.0357 0.1322
Schistosoma mansoni alpha-amylase 0.024 0.27 0.27
Schistosoma mansoni alpha-amylase 0.024 0.27 0.27
Mycobacterium ulcerans glycogen branching protein 0.0057 0.0357 0.1322
Entamoeba histolytica alpha-amylase family protein 0.0057 0.0357 0.0948
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0371 0.096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0371 0.096
Mycobacterium tuberculosis Probable glucanase GlgE 0.0057 0.0357 0.1322
Entamoeba histolytica alpha-amylase, putative 0.0057 0.0357 0.0948
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0038 0.0112 0.5
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0057 0.0357 0.0357
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0147 0.1515 0.1515
Mycobacterium leprae Putative uncharacterized protein ML2045 0.024 0.27 1
Schistosoma mansoni hypothetical protein 0.004 0.0134 0.0134
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0057 0.0357 0.5
Brugia malayi Alpha amylase, catalytic domain containing protein 0.024 0.27 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Mycobacterium ulcerans trehalose synthase TreS 0.024 0.27 1
Mycobacterium ulcerans trehalose synthase TreS 0.0057 0.0357 0.1322
Entamoeba histolytica alpha-amylase family protein 0.0057 0.0357 0.0948
Schistosoma mansoni hypothetical protein 0.0147 0.1515 0.1515
Echinococcus granulosus expressed protein 0.0039 0.0124 0.0124
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.024 0.27 1
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0057 0.0357 0.0357
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0371 0.096
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Schistosoma mansoni rotamase 0.0039 0.0124 0.0124
Schistosoma mansoni alpha-amylase 0.024 0.27 0.27
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0057 0.0357 0.5
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0057 0.0357 1
Mycobacterium tuberculosis Trehalose synthase TreS 0.024 0.27 1
Chlamydia trachomatis glycogen hydrolase 0.0057 0.0357 0.5
Mycobacterium ulcerans maltooligosyltrehalose synthase TreY 0.0057 0.0357 0.1322
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0038 0.0112 0.5
Entamoeba histolytica alpha-amylase family protein 0.0057 0.0357 0.0948
Schistosoma mansoni hypothetical protein 0.0057 0.0357 0.0357
Mycobacterium ulcerans maltooligosyltrehalose trehalohydrolase, TreZ 0.0057 0.0357 0.1322
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Echinococcus multilocularis expressed protein 0.0039 0.0124 0.0124
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0057 0.0357 0.0948
Loa Loa (eye worm) hypothetical protein 0.004 0.0134 0.004
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0057 0.0357 0.0906
Schistosoma mansoni starch branching enzyme II 0.0057 0.0357 0.0357
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Schistosoma mansoni thyroid hormone receptor 0.0159 0.1667 0.1667
Loa Loa (eye worm) hypothetical protein 0.0058 0.0371 0.096
Schistosoma mansoni thyroid hormone receptor 0.0159 0.1667 0.1667
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0124 0.3461
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Mycobacterium ulcerans glycosidase 0.0057 0.0357 0.1322
Schistosoma mansoni alpha-amylase 0.024 0.27 0.27
Echinococcus multilocularis thyroid hormone receptor alpha 0.0159 0.1667 0.1667
Loa Loa (eye worm) alpha amylase 0.024 0.27 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Trichomonas vaginalis amylase, putative 0.0057 0.0357 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0038 0.0112 0.5
Trichomonas vaginalis rotamase, putative 0.0039 0.0124 0.3461
Brugia malayi Alpha amylase, catalytic domain containing protein 0.024 0.27 1
Trichomonas vaginalis rotamase, putative 0.0038 0.0112 0.313
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0357 1
Trichomonas vaginalis amylase, putative 0.0057 0.0357 1
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0134 0.004
Loa Loa (eye worm) alpha amylase 0.024 0.27 1
Trichomonas vaginalis amylase, putative 0.0057 0.0357 1
Mycobacterium tuberculosis Maltooligosyltrehalose trehalohydrolase TreZ 0.0057 0.0357 0.1322
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0057 0.0357 0.1322
Schistosoma mansoni alpha-amylase 0.024 0.27 0.27
Mycobacterium ulcerans maltooligosyltrehalose synthase TreX 0.0057 0.0357 0.1322
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Trichomonas vaginalis alpha-amylase, putative 0.0057 0.0357 1
Echinococcus multilocularis alpha glucosidase 0.024 0.27 0.27
Echinococcus granulosus alpha glucosidase 0.024 0.27 0.27
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0147 0.1515 0.1515
Toxoplasma gondii glycosyltransferase 0.0057 0.0357 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 400 nM Inhibition of PHD3 in human Hep3B cells assessed as stimulation of EPO release after 48 hrs by ELISA ChEMBL. 23977883
IC50 (binding) = 0.8 nM Inhibition of 6His-tagged PHD3 (1 to 239) (unknown origin)-mediated Cy5CODD hydroxylation expressed in Escherichia coli after 30 mins ChEMBL. 23977883

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

1 literature reference was collected for this gene.

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