Detailed information for compound 44514

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 414.755 | Formula: C15H25ClO7P2
  • H donors: 1 H acceptors: 3 LogP: 1.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COP(=O)(C(P(=O)(OC)OC)(C(Cc1ccc(cc1)Cl)(C)C)O)OC
  • InChi: 1S/C15H25ClO7P2/c1-14(2,11-12-7-9-13(16)10-8-12)15(17,24(18,20-3)21-4)25(19,22-5)23-6/h7-10,17H,11H2,1-6H3
  • InChiKey: JIXOUTUIXBBOSF-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
Toxoplasma gondii histone deacetylase HDAC4 0.0494 0.7746 0.793
Brugia malayi histone deacetylase 1 (HD1) 0.0605 0.9606 0.983
Schistosoma mansoni histone deacetylase 4 5 0.0615 0.9768 0.9763
Trypanosoma brucei histone deacetylase 4 0.0615 0.9768 1
Echinococcus multilocularis histone deacetylase 6 0.0615 0.9768 0.9763
Brugia malayi Histone deacetylase family protein 0.0615 0.9768 1
Leishmania major histone deacetylase, putative 0.0615 0.9768 1
Trichomonas vaginalis histone deacetylase, putative 0.0605 0.9606 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0299 0.4482 0.4588
Loa Loa (eye worm) histone deacetylase 1 0.0605 0.9606 0.983
Plasmodium vivax histone deacetylase, putative 0.0615 0.9768 1
Brugia malayi Histone deacetylase 1 0.0605 0.9606 0.983
Trypanosoma brucei histone deacetylase 3 0.0615 0.9768 1
Echinococcus granulosus histone deacetylase 1 0.0605 0.9606 0.9597
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0219 0.0224
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0605 0.9606 0.5
Plasmodium falciparum histone deacetylase 2 0.0615 0.9768 1
Schistosoma mansoni histone deacetylase hda2 0.0299 0.4482 0.4359
Echinococcus multilocularis histone deacetylase 0.0615 0.9768 0.9763
Trypanosoma brucei histone deacetylase 1 0.0605 0.9606 0.983
Leishmania major histone deacetylase, putative 0.0615 0.9768 1
Leishmania major histone deacetylase, putative 0.0605 0.9606 0.9833
Echinococcus granulosus histone deacetylase 7 0.0615 0.9768 0.9763
Trypanosoma brucei histone deacetylase 2 0.0299 0.4482 0.4465
Toxoplasma gondii histone deacetylase HDAC5 0.0299 0.4482 0.4588
Trichomonas vaginalis histone deacetylase, putative 0.0605 0.9606 0.5
Plasmodium vivax histone deacetylase 2, putative 0.0615 0.9768 1
Echinococcus multilocularis histone deacetylase 7 0.0615 0.9768 0.9763
Leishmania major DNA polymerase eta, putative 0.0044 0.0219 0.0224
Echinococcus granulosus histone deacetylase 8 0.0299 0.4482 0.4359
Trichomonas vaginalis histone deacetylase, putative 0.0605 0.9606 0.5
Brugia malayi histone deacetylase 3 (HD3) 0.0605 0.9606 0.983
Schistosoma mansoni histone deacetylase 0.0605 0.9606 0.9597
Trypanosoma brucei histone deacetylase, putative 0.0615 0.9768 1
Brugia malayi histone deacetylase 11 0.0494 0.7746 0.7882
Echinococcus multilocularis histone deacetylase 6 0.0628 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0605 0.9606 0.9833
Echinococcus granulosus geminin 0.0166 0.2266 0.2093
Loa Loa (eye worm) hypothetical protein 0.0195 0.2747 0.2648
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0309 0.4654 0.4535
Echinococcus granulosus histone deacetylase 6 0.0615 0.9768 0.9763
Echinococcus multilocularis histone deacetylase 8 0.0299 0.4482 0.4359
Schistosoma mansoni hypothetical protein 0.0166 0.2266 0.2093
Plasmodium vivax histone deacetylase 1, putative 0.0605 0.9606 0.9196
Trichomonas vaginalis histone deacetylase, putative 0.0605 0.9606 0.5
Onchocerca volvulus Histone deacetylase 10 homolog 0.0299 0.4482 0.5
Echinococcus granulosus histone deacetylase 6 0.0615 0.9768 0.9763
Loa Loa (eye worm) histone deacetylase 7A 0.0615 0.9768 1
Echinococcus multilocularis histone deacetylase 3 0.0605 0.9606 0.9597
Echinococcus multilocularis histone deacetylase 1 0.0605 0.9606 0.9597
Schistosoma mansoni histone deacetylase 0.0605 0.9606 0.9597
Loa Loa (eye worm) hypothetical protein 0.033 0.5001 0.5008
Entamoeba histolytica histone deacetylase, putative 0.0605 0.9606 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0605 0.9606 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0605 0.9606 0.9833
Echinococcus multilocularis histone deacetylase 6 0.0615 0.9768 0.9763
Echinococcus granulosus histone deacetylase 0.0615 0.9768 0.9763
Schistosoma mansoni histone deacetylase hda2 0.0628 1 1
Plasmodium falciparum histone deacetylase, putative 0.0615 0.9768 1
Loa Loa (eye worm) hypothetical protein 0.0299 0.4482 0.4465
Loa Loa (eye worm) hypothetical protein 0.0605 0.9606 0.983
Echinococcus granulosus histone deacetylase 3 0.0605 0.9606 0.9597
Toxoplasma gondii histone deacetylase HDAC3 0.0605 0.9606 0.9833
Toxoplasma gondii histone deacetylase HDAC2 0.0605 0.9606 0.9833
Loa Loa (eye worm) histone deacetylase 0.0615 0.9768 1
Trichomonas vaginalis histone deacetylase, putative 0.0605 0.9606 0.5
Loa Loa (eye worm) histone deacetylase 3 0.0605 0.9606 0.983
Brugia malayi Histone deacetylase family protein 0.0615 0.9768 1
Trypanosoma cruzi histone deacetylase, putative 0.0615 0.9768 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0299 0.4482 0.4359
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0605 0.9606 0.5
Echinococcus multilocularis geminin 0.0166 0.2266 0.2093
Schistosoma mansoni histone deacetylase 4 5 0.0615 0.9768 0.9763
Giardia lamblia Histone deacetylase 0.0605 0.9606 0.5
Leishmania major histone deacetylase, putative 0.0605 0.9606 0.9833
Trypanosoma cruzi histone deacetylase, putative 0.0615 0.9768 1
Schistosoma mansoni hypothetical protein 0.0166 0.2266 0.2093
Toxoplasma gondii histone deacetylase HDAC1 0.0615 0.9768 1
Trypanosoma cruzi histone deacetylase, putative 0.0615 0.9768 1
Loa Loa (eye worm) histone deacetylase 11 0.0494 0.7746 0.7882
Trichomonas vaginalis histone deacetylase, putative 0.0605 0.9606 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0299 0.4482 0.4588
Loa Loa (eye worm) hypothetical protein 0.0316 0.477 0.4766
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0309 0.4654 0.4535

Activities

Activity type Activity value Assay description Source Reference
Control (functional) 0 % Activity to induce the elevation of triglycerides of male Wistar rats; No Data ChEMBL. 3612689
Control (functional) 0 % Activity to induce the elevation of phospholipids of male Wistar rats; No Data ChEMBL. 3612689
Control (functional) 0 % Activity to induce the elevation of alpha/beta cholesterol ratio of male Wistar rats; No Data ChEMBL. 3612689
Control (functional) 0 % Activity to induce the elevation of HDL(High Density Lipoproteins)-Cholesterol of male Wistar rats; No Data ChEMBL. 3612689

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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