Detailed information for compound 1065608

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 182.147 | Formula: C6H11FO5
  • H donors: 4 H acceptors: 4 LogP: -1.81 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC[C@H]1OC([C@H]([C@@H]1O)O)(O)CO
  • InChi: 1S/C6H11FO5/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,8-11H,1-2H2/t3-,4-,5+,6?/m1/s1
  • InChiKey: ODWGBJLPHMOVNK-VRPWFDPXSA-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
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.3333 0.3333
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.3398 0.3398
Entamoeba histolytica hypothetical protein 0.0037 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.3398 0.3398
Loa Loa (eye worm) ACC-1 protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.3333 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.3333 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.3398 0.3398
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0019 0.3398 0.3398
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0019 0.3398 0.3398
Entamoeba histolytica hypothetical protein 0.0037 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.3398 0.3398
Schistosoma mansoni transcription factor LCR-F1 0.0037 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.3398 0.3398
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0019 0.3398 0.3398
Onchocerca volvulus 0.0019 0.3398 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.3398 0.3398
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.3398 0.3398
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.3398 0.3398
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.3398 0.3398
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0019 0.3398 0.3398
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) LGC-31 protein 0.0019 0.3398 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0019 0.3398 0.3398
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.3333 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.3398 0.3398
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0019 0.3398 1
Entamoeba histolytica hypothetical protein 0.0037 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Onchocerca volvulus 0.0019 0.3398 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0019 0.3398 0.3398
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0019 0.3398 1
Onchocerca volvulus 0.0019 0.3398 1
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0019 0.3398 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0019 0.3398 0.3398
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.3333 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.3398 0.3398
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.3333 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.3333 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0019 0.3398 0.3398
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.3333 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.3398 0.3398
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0019 0.3398 0.3398
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0019 0.3398 0.3398
Brugia malayi Cation transporter family protein 0.0019 0.3398 0.3398
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0019 0.3398 0.3398
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0019 0.3398 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0019 0.3398 0.3398
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0019 0.3398 0.3398
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.3398 0.3398
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0019 0.3398 0.3398
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.3333 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.3333 0.3333
Echinococcus granulosus glycine receptor subunit alpha 1 0.0019 0.3398 0.3398
Onchocerca volvulus 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.3333 0.5
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.3398 0.3398
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.3333 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.3398 0.3398
Brugia malayi Cation transporter family protein 0.0019 0.3398 0.3398
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0019 0.3398 0.3398
Onchocerca volvulus Putative nachr subunit 0.0019 0.3398 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.3398 0.3398
Loa Loa (eye worm) ACC-1 protein 0.0019 0.3398 1
Onchocerca volvulus 0.0019 0.3398 1
Schistosoma mansoni hypothetical protein 0.0037 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0019 0.3398 1
Brugia malayi Cation transporter family protein 0.0019 0.3398 0.3398
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0019 0.3398 0.3398
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0019 0.3398 0.3398
Schistosoma mansoni ap endonuclease 0.0019 0.3333 0.3333
Entamoeba histolytica hypothetical protein 0.0037 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0019 0.3398 0.3398
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.3333 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0019 0.3398 0.3398
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0019 0.3398 0.3398
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.3333 0.3333
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0019 0.3398 0.3398
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.3333 0.9808
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.3398 0.3398
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0019 0.3398 0.3398
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Echinococcus granulosus nAChR subunit 0.0019 0.3398 0.3398
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.3333 0.3333
Onchocerca volvulus 0.0019 0.3398 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0019 0.3398 0.3398
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Schistosoma mansoni ap endonuclease 0.0019 0.3333 0.3333
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0019 0.3398 0.3398
Echinococcus multilocularis glycine receptor subunit beta 0.0019 0.3398 0.3398
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0019 0.3398 0.3398
Echinococcus granulosus glycine receptor subunit beta 0.0019 0.3398 0.3398
Toxoplasma gondii exonuclease III APE 0.0019 0.3333 0.5
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0019 0.3398 0.3398
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0019 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.3398 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.3333 0.5
Echinococcus multilocularis nAChR subunit 0.0019 0.3398 0.3398
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0019 0.3398 0.3398
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 1 1
Schistosoma mansoni nAChR subunit 0.0019 0.3398 0.3398
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.3333 0.5
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0019 0.3398 0.3398

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.916 mM Inhibition of GLUT2-mediated [14C]D-glucose uptake in human MCF7 cells by liquid scintillation counting ChEMBL. 19586773
Ki (binding) = 6.21 mM Inhibition of GLUT2-mediated [14C]D-glucose uptake in human MDA-MB-231 cells by liquid scintillation counting ChEMBL. 19586773
Ki (binding) = 154 uM Inhibition of GLUT5-mediated [14C]D-fructose uptake in human MCF7 cells by liquid scintillation counting ChEMBL. 19586773
Ki (binding) = 330 uM Inhibition of GLUT5-mediated [14C]D-fructose uptake in human MDA-MB-231 cells by liquid scintillation counting ChEMBL. 19586773

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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