Detailed information for compound 287564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.534 | Formula: C28H30O7
  • H donors: 1 H acceptors: 3 LogP: 5.34 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1c(ccc(c1OCc1ccc(cc1)OC)C(=O)C)OCc1ccc(cc1OC)C(=O)O
  • InChi: 1S/C28H30O7/c1-5-6-24-25(34-17-21-10-9-20(28(30)31)15-26(21)33-4)14-13-23(18(2)29)27(24)35-16-19-7-11-22(32-3)12-8-19/h7-15H,5-6,16-17H2,1-4H3,(H,30,31)
  • InChiKey: CDOAOBAOQCJCCK-UHFFFAOYSA-N  

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
Trichomonas vaginalis histone deacetylase, putative 0.0449 0.2672 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0797 0.5993 0.6087
Echinococcus granulosus histone deacetylase 8 0.0217 0.046 0.0467
Schistosoma mansoni histone deacetylase 0.0449 0.2672 0.3045
Loa Loa (eye worm) histone deacetylase 11 0.0217 0.046 0.046
Trypanosoma brucei histone deacetylase 4 0.0462 0.2802 0.2817
Entamoeba histolytica histone deacetylase, putative 0.0449 0.2672 0.5
Brugia malayi fructose-1,6-bisphosphatase 0.1089 0.8773 0.8773
Schistosoma mansoni peptide (allatostatin)-like receptor 0.031 0.1353 0.1542
Schistosoma mansoni histone deacetylase 4 5 0.0462 0.2802 0.3194
Echinococcus granulosus histone deacetylase 6 0.0475 0.2922 0.2968
Echinococcus granulosus histone deacetylase 3 0.0449 0.2672 0.2713
Echinococcus multilocularis histone deacetylase 6 0.0475 0.2922 0.2968
Echinococcus multilocularis allatostatin A receptor 0.031 0.1353 0.1374
Loa Loa (eye worm) hypothetical protein 0.0449 0.2672 0.2672
Schistosoma mansoni histone deacetylase 1 2 3 0.0217 0.046 0.0525
Plasmodium vivax histone deacetylase 2, putative 0.0462 0.2802 1
Echinococcus multilocularis histone deacetylase 7 0.0462 0.2802 0.2846
Trypanosoma brucei histone deacetylase 1 0.0449 0.2672 0.266
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.1089 0.8773 0.8773
Brugia malayi histone deacetylase 11 0.0217 0.046 0.046
Trypanosoma cruzi histone deacetylase, putative 0.0462 0.2802 0.2817
Trichomonas vaginalis histone deacetylase, putative 0.0449 0.2672 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0797 0.5993 0.6087
Trypanosoma brucei histone deacetylase 3 0.0462 0.2802 0.2817
Plasmodium vivax histone deacetylase 1, putative 0.0449 0.2672 0.9442
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0449 0.2672 0.5
Schistosoma mansoni histone deacetylase hda2 0.0475 0.2922 0.3331
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1089 0.8773 1
Plasmodium vivax histone deacetylase, putative 0.0462 0.2802 1
Plasmodium falciparum histone deacetylase, putative 0.0462 0.2802 1
Echinococcus granulosus tm gpcr rhodopsin 0.1202 0.9846 1
Trypanosoma cruzi histone deacetylase, putative 0.0462 0.2802 0.2817
Trypanosoma cruzi histone deacetylase, putative 0.0462 0.2802 0.2817
Loa Loa (eye worm) histone deacetylase 1 0.0449 0.2672 0.2672
Toxoplasma gondii histone deacetylase HDAC2 0.0449 0.2672 0.266
Echinococcus multilocularis histone deacetylase 6 0.0462 0.2802 0.2846
Giardia lamblia Histone deacetylase 0.0449 0.2672 0.5
Trypanosoma brucei fructose-1,6-bisphosphatase 0.1089 0.8773 1
Trypanosoma brucei histone deacetylase, putative 0.0462 0.2802 0.2817
Loa Loa (eye worm) histone deacetylase 3 0.0449 0.2672 0.2672
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0405 0.2256 0.216
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0405 0.2256 0.216
Schistosoma mansoni histone deacetylase 0.0449 0.2672 0.3045
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1089 0.8773 1
Toxoplasma gondii histone deacetylase HDAC3 0.0449 0.2672 0.266
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0405 0.2256 0.216
Echinococcus multilocularis histone deacetylase 3 0.0449 0.2672 0.2713
Schistosoma mansoni histone deacetylase 4 5 0.0462 0.2802 0.3194
Leishmania major histone deacetylase, putative 0.0462 0.2802 0.0214
Brugia malayi Histone deacetylase 1 0.0449 0.2672 0.2672
Loa Loa (eye worm) hypothetical protein 0.0217 0.046 0.046
Onchocerca volvulus 0.031 0.1353 1
Trichomonas vaginalis histone deacetylase, putative 0.0449 0.2672 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0449 0.2672 0.5
Echinococcus granulosus fructose 16 bisphosphatase 1 0.1089 0.8773 0.891
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0449 0.2672 0.5
Loa Loa (eye worm) hypothetical protein 0.1218 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1202 0.9846 1
Plasmodium falciparum histone deacetylase 2 0.0462 0.2802 1
Loa Loa (eye worm) histone deacetylase 0.0462 0.2802 0.2802
Trypanosoma cruzi histone deacetylase 1, putative 0.0449 0.2672 0.266
Trichomonas vaginalis histone deacetylase, putative 0.0449 0.2672 0.5
Loa Loa (eye worm) histone deacetylase 7A 0.0462 0.2802 0.2802
Echinococcus multilocularis histone deacetylase 6 0.0462 0.2802 0.2846
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0561 0.3741 0.3799
Echinococcus multilocularis histone deacetylase 0.0462 0.2802 0.2846
Brugia malayi Histone deacetylase family protein 0.0462 0.2802 0.2802
Loa Loa (eye worm) hypothetical protein 0.0258 0.0859 0.0859
Echinococcus multilocularis histone deacetylase 8 0.0217 0.046 0.0467
Loa Loa (eye worm) hypothetical protein 0.0246 0.0739 0.0739
Echinococcus granulosus allatostatin A receptor 0.031 0.1353 0.1374
Brugia malayi Histone deacetylase family protein 0.0462 0.2802 0.2802
Leishmania major histone deacetylase, putative 0.0462 0.2802 0.0214
Echinococcus multilocularis histone deacetylase 1 0.0449 0.2672 0.2713
Toxoplasma gondii fructose-bisphospatase II 0.1089 0.8773 1
Brugia malayi sulfakinin receptor protein 0.1218 1 1
Leishmania major 0.1089 0.8773 1
Echinococcus granulosus histone deacetylase 6 0.0462 0.2802 0.2846
Echinococcus granulosus histone deacetylase 1 0.0449 0.2672 0.2713
Brugia malayi histone deacetylase 1 (HD1) 0.0449 0.2672 0.2672
Onchocerca volvulus Histone deacetylase 10 homolog 0.0217 0.046 0.3401
Brugia malayi histone deacetylase 3 (HD3) 0.0449 0.2672 0.2672
Echinococcus granulosus histone deacetylase 7 0.0462 0.2802 0.2846
Schistosoma mansoni histone deacetylase hda2 0.0217 0.046 0.0525
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.1089 0.8773 0.891
Trichomonas vaginalis histone deacetylase, putative 0.0449 0.2672 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0462 0.2802 0.2817
Trypanosoma cruzi histone deacetylase 1, putative 0.0449 0.2672 0.266
Schistosoma mansoni fructose-16-bisphosphatase-related 0.1089 0.8773 1
Trichomonas vaginalis histone deacetylase, putative 0.0449 0.2672 0.5
Echinococcus granulosus histone deacetylase 0.0462 0.2802 0.2846
Loa Loa (eye worm) hypothetical protein 0.031 0.1353 0.1353
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0561 0.3741 0.3799
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0405 0.2256 0.216
Echinococcus granulosus histone deacetylase 6 0.0462 0.2802 0.2846
Toxoplasma gondii fructose-bisphospatase I 0.0405 0.2256 0.216

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 25 % Percent inhibition of the leukotriene E4 (LTE4)-induced contraction of guinea pig tracheal spirals at 10 microM concentration ChEMBL. 2704027

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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