Detailed information for compound 508291

Basic information

Technical information
  • TDR Targets ID: 508291
  • Name: (2R,3S,4S,5E,7R)-3,4,7-trihydroxy-2-propyl-2, 3,4,7,8,9-hexahydrooxecin-10-one
  • MW: 244.284 | Formula: C12H20O5
  • H donors: 3 H acceptors: 4 LogP: 0.04 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC[C@H]1OC(=O)CC[C@H](/C=C/[C@@H]([C@@H]1O)O)O
  • InChi: 1S/C12H20O5/c1-2-3-10-12(16)9(14)6-4-8(13)5-7-11(15)17-10/h4,6,8-10,12-14,16H,2-3,5,7H2,1H3/b6-4+/t8-,9-,10+,12-/m0/s1
  • InChiKey: BFIDNRPVSXOGQW-AZIMCRLHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R,6E,8S,9S,10R)-5,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one

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
Loa Loa (eye worm) glutamate receptor 1 0.0039 0.0007 0.0255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus multilocularis nmda type glutamate receptor 0.016 0.1461 0.1455
Chlamydia trachomatis glutamine binding protein 0.006 0.0262 0.5
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.006 0.0262 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0061 0.0271 0.0264
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0151 0.0144
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0874 1 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.006 0.0262 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0151 0.0144
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0061 0.0271 0.2485
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.006 0.0262 0.5
Giardia lamblia GTOR 0.0061 0.0271 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Leishmania major hypothetical protein, conserved 0.0317 0.334 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.006 0.0262 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0061 0.0271 0.0264
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0061 0.0271 1
Echinococcus multilocularis nmda type glutamate receptor 0.0089 0.0604 0.0597
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0061 0.0271 0.2485
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0151 0.0144
Loa Loa (eye worm) glutamate receptor 2 0.0039 0.0007 0.0255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus granulosus nmda type glutamate receptor 0.016 0.1461 0.1455
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0061 0.0271 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0061 0.0271 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0271 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0061 0.0271 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0061 0.0271 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0151 0.0144
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0084 0.0543 0.0536
Schistosoma mansoni glutamate receptor NMDA 0.0128 0.1069 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0051 0.0151 0.0144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0061 0.0271 0.0264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus granulosus glutamate receptor NMDA 0.0077 0.046 0.0453
Echinococcus multilocularis glutamate receptor 2 0.0051 0.0151 0.0144
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0061 0.0271 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0089 0.0604 0.0597
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0051 0.0151 0.0144
Trypanosoma cruzi hypothetical protein, conserved 0.0306 0.32 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0051 0.0151 0.0144
Echinococcus multilocularis glutamate receptor NMDA 0.0077 0.046 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0061 0.0271 0.0264
Toxoplasma gondii target of rapamycin (TOR), putative 0.0061 0.0271 1
Echinococcus granulosus glutamate receptor 2 0.0051 0.0151 0.0144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0051 0.0151 0.0144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0271 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.006 0.0262 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Phytotoxicity against Sonchus arvensis at 1 mg/ml by leaf disk puncture assay ChEMBL. 18088096
Activity (functional) 0 Phytotoxicity against Cirsium arvense at 1 mg/ml by leaf disk puncture assay ChEMBL. 18088096

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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