Detailed information for compound 1764379

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.46 | Formula: C24H26O6
  • H donors: 4 H acceptors: 4 LogP: 2.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(ccc1OC)Cc1cc2c(c1)ccccc2
  • InChi: 1S/C24H26O6/c1-29-19-8-7-14(9-15-10-16-5-3-2-4-6-17(16)11-15)12-18(19)24-23(28)22(27)21(26)20(13-25)30-24/h2-8,10-12,20-28H,9,13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
  • InChiKey: HXFAPXKMKACNGJ-SJSRKZJXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 5 (sodium/glucose cotransporter), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni inositol transporter Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus multilocularis sodium:glucose cotransporter 2 Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus granulosus sodium:glucose cotransporter Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus multilocularis solute carrier family 5 Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus granulosus solute carrier family 5 Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus granulosus sodium:glucose cotransporter 2 Get druggable targets OG5_127197 All targets in OG5_127197
Schistosoma japonicum expressed protein Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus granulosus sodium:myo inositol cotransporter Get druggable targets OG5_127197 All targets in OG5_127197
Echinococcus multilocularis sodium:myo inositol cotransporter Get druggable targets OG5_127197 All targets in OG5_127197
Schistosoma japonicum Sodium/myo-inositol cotransporter, putative Get druggable targets OG5_127197 All targets in OG5_127197
Schistosoma mansoni inositol transporter Get druggable targets OG5_127197 All targets in OG5_127197
Schistosoma japonicum ko:K03307 solute:Na+ symporter, SSS family, putative Get druggable targets OG5_127197 All targets in OG5_127197

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
Echinococcus multilocularis axis inhibition protein axin 0.0282 0.1377 0.1377
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1282 0.7181 0.7181
Echinococcus multilocularis muscleblind protein 0.0145 0.0587 0.0587
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0181 0.0796 0.0796
Schistosoma mansoni axis inhibition protein axin 0.0282 0.1377 0.1377
Loa Loa (eye worm) hypothetical protein 0.0282 0.1377 0.1377
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.1377 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.1377 0.5
Echinococcus multilocularis expressed protein 0.0282 0.1377 0.1377
Brugia malayi hypothetical protein 0.0282 0.1377 0.1918
Brugia malayi PXA domain containing protein 0.0282 0.1377 0.1918
Brugia malayi A-kinase anchor protein 10, precursor 0.0282 0.1377 0.1918
Entamoeba histolytica hypothetical protein 0.0282 0.1377 0.5
Entamoeba histolytica hypothetical protein 0.0282 0.1377 0.5
Echinococcus granulosus axis inhibition protein axin 0.0282 0.1377 0.1377
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0282 0.1377 0.1377
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0282 0.1377 0.1377
Echinococcus granulosus expressed protein 0.0282 0.1377 0.1377
Echinococcus granulosus muscleblind protein 0.0145 0.0587 0.0587
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1282 0.7181 1
Brugia malayi Muscleblind-like protein 0.0145 0.0587 0.0818
Entamoeba histolytica hypothetical protein 0.0282 0.1377 0.5
Loa Loa (eye worm) PXA domain-containing protein 0.0282 0.1377 0.1377
Schistosoma mansoni high-affinity choline transporter 0.0046 0.0012 0.0012
Echinococcus granulosus axis inhibition protein axin 0.0282 0.1377 0.1377
Brugia malayi PXA domain containing protein 0.0282 0.1377 0.1918
Loa Loa (eye worm) hypothetical protein 0.0145 0.0587 0.0587
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1 0.5547 0.5547
Echinococcus granulosus sodium:myo inositol cotransporter 0.0181 0.0796 0.0796
Brugia malayi regulator of G-protein signaling egl-10 0.0282 0.1377 0.1918
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1 0.5547 0.5547
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1 0.5547 0.5547
Loa Loa (eye worm) hypothetical protein 0.0282 0.1377 0.1377
Schistosoma mansoni regulator of G protein signaling 0.0282 0.1377 0.1377
Schistosoma mansoni inositol transporter 0.0181 0.0796 0.0796
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0282 0.1377 0.1377
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.1768 1 1
Echinococcus granulosus solute carrier family 5 0.0181 0.0796 0.0796
Echinococcus granulosus sodium:glucose cotransporter 2 0.0181 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.0282 0.1377 0.1377
Schistosoma mansoni serine/threonine protein kinase 0.1768 1 1
Echinococcus multilocularis solute carrier family 5 0.0181 0.0796 0.0796
Echinococcus multilocularis axis inhibition protein axin 0.0282 0.1377 0.1377
Schistosoma mansoni regulator of G protein signaling 0.0282 0.1377 0.1377
Echinococcus multilocularis regulator of G protein signaling 3 0.0282 0.1377 0.1377
Echinococcus multilocularis muscleblind protein 1 0.0145 0.0587 0.0587
Schistosoma mansoni serine/threonine protein kinase 0.1768 1 1
Echinococcus granulosus G protein coupled receptor kinase 1 0.1486 0.8366 0.8366
Loa Loa (eye worm) hypothetical protein 0.0282 0.1377 0.1377
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0012
Echinococcus granulosus high affinity choline transporter 1 0.0046 0.0012 0.0012
Schistosoma mansoni regulator of G protein signaling 0.0282 0.1377 0.1377
Echinococcus multilocularis regulator of G protein signaling 7 0.0282 0.1377 0.1377
Loa Loa (eye worm) hypothetical protein 0.0282 0.1377 0.1377
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.1377 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0282 0.1377 0.1377
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0012 0.0017
Brugia malayi GH02984p 0.0046 0.0012 0.0017
Brugia malayi regulator of G-protein signaling rgs-7 0.0282 0.1377 0.1918
Schistosoma mansoni sodium/solute symporter 0.0046 0.0012 0.0012
Brugia malayi Regulator of G protein signaling domain containing protein 0.0282 0.1377 0.1918
Loa Loa (eye worm) hypothetical protein 0.0145 0.0587 0.0587
Schistosoma mansoni serine/threonine protein kinase 0.1282 0.7181 0.7181
Echinococcus granulosus regulator of G protein signaling 3 0.0282 0.1377 0.1377
Echinococcus multilocularis high affinity choline transporter 1 0.0046 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0046 0.0012 0.0012
Schistosoma mansoni regulator of G protein signaling 0.0282 0.1377 0.1377
Loa Loa (eye worm) hypothetical protein 0.0282 0.1377 0.1377
Echinococcus multilocularis regulator of G protein signaling 0.0282 0.1377 0.1377
Echinococcus multilocularis regulator of G protein signaling 7 0.0282 0.1377 0.1377
Onchocerca volvulus 0.0046 0.0012 0.5
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1 0.5547 0.5547
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0282 0.1377 0.1377
Echinococcus granulosus sodium:glucose cotransporter 0.0181 0.0796 0.0796
Schistosoma mansoni regulator of G protein signaling 0.0282 0.1377 0.1377
Brugia malayi hypothetical protein 0.0282 0.1377 0.1918
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.1377 0.5
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0282 0.1377 0.1377
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0282 0.1377 0.1377
Schistosoma mansoni axis inhibition protein axin 0.0282 0.1377 0.1377
Echinococcus multilocularis Regulator of G protein signaling 20 0.0282 0.1377 0.1377
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.1377 0.5
Schistosoma mansoni z-protein (S1r protein) 0.0282 0.1377 0.1377
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0282 0.1377 0.5
Echinococcus granulosus Regulator of G protein signaling 20 0.0282 0.1377 0.1377
Echinococcus granulosus regulator of G protein signaling 7 0.0282 0.1377 0.1377
Echinococcus multilocularis beta adrenergic receptor kinase 0.1768 1 1
Loa Loa (eye worm) RGS-3 protein 0.0282 0.1377 0.1377
Brugia malayi Regulator of G protein signaling domain containing protein 0.0282 0.1377 0.1918
Echinococcus granulosus regulator of G protein signaling 3 0.0282 0.1377 0.1377
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1 0.5547 0.7725
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0012 0.0012
Schistosoma mansoni inositol transporter 0.0181 0.0796 0.0796
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0012 0.0012
Echinococcus multilocularis regulator of G protein signaling 3 0.0282 0.1377 0.1377
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.1377 0.5
Echinococcus multilocularis G protein coupled receptor kinase 1 0.1486 0.8366 0.8366
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0181 0.0796 0.0796
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0012 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 nM Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-methyl-alpha-D-glucopyranoside accumulation ChEMBL. 23651509

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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