Detailed information for compound 1799832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.326 | Formula: C19H16O7
  • H donors: 3 H acceptors: 6 LogP: 3.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O
  • InChi: 1S/C19H16O7/c1-2-3-4-26-10-7-12-16(14(21)8-10)18(23)15-11(17(12)22)5-9(19(24)25)6-13(15)20/h5-8,20-21H,2-4H2,1H3,(H,24,25)
  • InChiKey: ZVCSTNIUBAMDQX-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
Giardia lamblia Hypothetical protein 0.0965 0.578 1
Echinococcus multilocularis tumor protein p63 0.0328 0.177 0.148
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.012 0.0458 0.0122
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0005 0.0005
Brugia malayi follicle stimulating hormone receptor 0.0231 0.1159 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.012 0.0458 0.0122
Leishmania major protein kinase, putative 0.012 0.0458 0.0122
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1608 0.9826 0.982
Brugia malayi Cytochrome P450 family protein 0.0062 0.0093 0.0803
Loa Loa (eye worm) hypothetical protein 0.1608 0.9826 0.9826
Loa Loa (eye worm) hypothetical protein 0.0118 0.0447 0.0442
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1635 1 1
Echinococcus granulosus hypothetical protein 0.0118 0.0447 0.011
Loa Loa (eye worm) cytochrome P450 family protein 0.0062 0.0093 0.0088
Echinococcus granulosus tumor protein p63 0.0328 0.177 0.148
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1635 1 1
Loa Loa (eye worm) hypothetical protein 0.1635 1 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.1635 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0698 0.4096 0.3888
Giardia lamblia Kinase, CMGC CLK 0.012 0.0458 0.0217
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0965 0.578 0.5
Schistosoma mansoni serine/threonine protein kinase 0.012 0.0458 0.0458
Loa Loa (eye worm) hypothetical protein 0.0159 0.0701 0.0696
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1608 0.9826 0.982
Brugia malayi Protein kinase domain containing protein 0.012 0.0458 0.3954
Echinococcus granulosus dual specificity protein kinase clk2 0.012 0.0458 0.0122
Loa Loa (eye worm) CMGC/CLK protein kinase 0.012 0.0458 0.0454
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0965 0.578 0.5
Leishmania major protein kinase, putative 0.012 0.0458 0.0122
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.012 0.0458 0.0122
Plasmodium vivax serine/threonine kinase-1, putative 0.012 0.0458 0.5
Schistosoma mansoni 6-phosphofructokinase 0.1635 1 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.012 0.0458 0.0122
Schistosoma mansoni serine/threonine protein kinase 0.012 0.0458 0.0458
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.012 0.0458 1
Schistosoma mansoni serine/threonine protein kinase 0.0101 0.034 0.034
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.012 0.0458 0.0122
Echinococcus multilocularis dual specificity protein kinase clk2 0.012 0.0458 0.0122
Loa Loa (eye worm) hypothetical protein 0.0937 0.5606 0.5604
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0698 0.4096 0.3888
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1635 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.012 0.0458 0.0122
Echinococcus multilocularis 0.0118 0.0447 0.011
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0698 0.4096 0.3888
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0101 0.034 0.0336
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0698 0.4096 0.3888
Brugia malayi hypoxia-induced factor 1 0.0146 0.0624 0.5379
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.1608 0.9826 0.982
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.1159 0.1155
Brugia malayi hypothetical protein 0.0159 0.0701 0.6047
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.1608 0.9826 0.982
Mycobacterium ulcerans hypothetical protein 0.0965 0.578 0.5
Trichomonas vaginalis CMGC family protein kinase 0.012 0.0458 1
Brugia malayi MAP kinase sur-1 0.0101 0.034 0.2936
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1635 1 1
Giardia lamblia Hypothetical protein 0.0965 0.578 1
Onchocerca volvulus 0.1635 1 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.0624 0.0619
Plasmodium falciparum protein serine/threonine kinase-1 0.012 0.0458 0.5

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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