Detailed information for compound 207209

Basic information

Technical information
  • TDR Targets ID: 207209
  • Name: 4-[4-methoxycarbonyl-2-[(3-nitrobenzoyl)amino ]phenoxy]phthalic acid
  • MW: 480.381 | Formula: C23H16N2O10
  • H donors: 3 H acceptors: 8 LogP: 3.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)[N+](=O)[O-])Oc1ccc(c(c1)C(=O)O)C(=O)O
  • InChi: 1S/C23H16N2O10/c1-34-23(31)13-5-8-19(35-15-6-7-16(21(27)28)17(11-15)22(29)30)18(10-13)24-20(26)12-3-2-4-14(9-12)25(32)33/h2-11H,1H3,(H,24,26)(H,27,28)(H,29,30)
  • InChiKey: VIXZBRNAXCGCCC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[4-methoxycarbonyl-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid
  • 4-[4-methoxycarbonyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid
  • 4-[4-carbomethoxy-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphorylase, glycogen, liver Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Glycogen phosphorylase homolog Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Neospora caninum hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Giardia lamblia Glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum Glycogen phosphorylase, brain form, putative Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus Glycosyl transferase family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Trichomonas vaginalis glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Brugia malayi carbohydrate phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Loa Loa (eye worm) glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma mansoni glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium hominis glycogen phosphorylase 1 Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus granulosus glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
Candida albicans hypothetical protein Get druggable targets OG5_126999 All targets in OG5_126999
Chlamydia trachomatis glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Cryptosporidium parvum glycogen phosphorylase Get druggable targets OG5_126999 All targets in OG5_126999
Echinococcus multilocularis Glycosyl transferase, family 35 Get druggable targets OG5_126999 All targets in OG5_126999
Schistosoma japonicum ko:K00688 starch phosphorylase [EC2.4.1.1], putative Get druggable targets OG5_126999 All targets in OG5_126999
Entamoeba histolytica glycogen phosphorylase, putative Get druggable targets OG5_126999 All targets in OG5_126999
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 glycogen phosphorylase 0.013 0.4839 0.8301
Brugia malayi hypothetical protein 0.0054 0.1938 0.1804
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0167 0.0108
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.4839 1
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.1938 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.1938 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.1938 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0265 1 1
Schistosoma mansoni glycogen phosphorylase 0.013 0.4839 0.8332
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0056 0.1995 0.3435
Giardia lamblia Glycogen phosphorylase 0.013 0.4839 0.5
Chlamydia trachomatis glycogen phosphorylase 0.013 0.4839 0.5
Echinococcus granulosus geminin 0.0156 0.5807 1
Schistosoma mansoni hypothetical protein 0.0156 0.5807 1
Schistosoma mansoni hypothetical protein 0.0156 0.5807 1
Echinococcus granulosus glycogen phosphorylase 0.013 0.4839 0.8301
Echinococcus multilocularis geminin 0.0156 0.5807 1
Brugia malayi CXXC zinc finger family protein 0.0026 0.0864 0.0712
Schistosoma mansoni cpg binding protein 0.0028 0.0922 0.1587
Schistosoma mansoni glycogen phosphorylase 0.0056 0.201 0.3461
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.079 0.1199
Echinococcus granulosus cpg binding protein 0.0028 0.0922 0.1431
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.4839 1
Echinococcus multilocularis cpg binding protein 0.0028 0.0922 0.1431
Loa Loa (eye worm) glycogen phosphorylase 0.013 0.4839 0.4751
Echinococcus granulosus Glycosyl transferase family 35 0.013 0.4839 0.8301
Entamoeba histolytica glycogen phosphorylase, putative 0.013 0.4839 1
Schistosoma mansoni hypothetical protein 0.0024 0.079 0.136
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0056 0.201 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0026 0.0864 0.0709
Onchocerca volvulus Glycogen phosphorylase homolog 0.013 0.4839 1
Schistosoma mansoni cpg binding protein 0.0026 0.0864 0.1488
Echinococcus multilocularis Glycosyl transferase, family 35 0.013 0.4839 0.8301
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0056 0.201 0.5
Echinococcus multilocularis glycogen phosphorylase 0.013 0.4839 0.8301
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.079 0.1199
Brugia malayi carbohydrate phosphorylase 0.013 0.4839 0.4753
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0106 0.0182
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.1938 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.1938 0.5
Leishmania major hypothetical protein, conserved 0.0054 0.1938 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.1938 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.013 0.4839 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.1938 0.5
Echinococcus granulosus glycogen phosphorylase 0.013 0.4839 0.8301
Loa Loa (eye worm) hypothetical protein 0.0054 0.1938 0.1801
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0167 0.0108
Schistosoma mansoni cpg binding protein 0.0028 0.0922 0.1587
Brugia malayi hypothetical protein 0.0035 0.12 0.1054
Schistosoma mansoni glycogen phosphorylase 0.013 0.4839 0.8332

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1200 nM In vitro inhibition of pig liver Glycogen phosphorylase A. ChEMBL. 15214781
IC50 (binding) = 1200 nM In vitro inhibition of pig liver Glycogen phosphorylase A. ChEMBL. 15214781

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.