Detailed information for compound 1067740

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.872 | Formula: C21H25ClO7
  • H donors: 4 H acceptors: 4 LogP: 1.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1OC(OC)[C@H]([C@@H]([C@H]1O)O)O
  • InChi: 1S/C21H25ClO7/c1-27-21-19(26)17(24)18(25)20(29-21)13-4-7-16(22)14(11-13)10-12-2-5-15(6-3-12)28-9-8-23/h2-7,11,17-21,23-26H,8-10H2,1H3/t17-,18-,19+,20+,21?/m1/s1
  • InChiKey: CHFZDLOZVXBPTO-AUGMSIGLSA-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
Mus musculus 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
Echinococcus granulosus sodium:myo inositol cotransporter 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
Schistosoma japonicum expressed protein 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
Schistosoma japonicum ko:K03307 solute:Na+ symporter, SSS family, putative 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
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 mansoni inositol transporter 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
Echinococcus multilocularis sodium:myo inositol 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

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 geminin 0.0166 0.1946 0.1933
Echinococcus granulosus solute carrier family 5 0.0363 0.447 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0157 0.0316
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.027 0.0254
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0017 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0135 1
Echinococcus granulosus high affinity choline transporter 1 0.0093 0.1006 0.222
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0093 0.1006 0.0991
Entamoeba histolytica hypothetical protein 0.0035 0.027 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0135 0.1195
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.027 0.057
Echinococcus multilocularis lamin 0.0026 0.0157 0.0141
Onchocerca volvulus 0.0047 0.0424 0.1713
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2788 0.6222
Schistosoma mansoni sodium/solute symporter 0.0093 0.1006 0.222
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0017 0.0061
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0135 1
Onchocerca volvulus 0.0093 0.1006 0.5443
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.027 0.057
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0445 0.1595
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0017 0.0001
Schistosoma mansoni survival motor neuron protein 0.0047 0.0424 0.0915
Brugia malayi intermediate filament protein 0.0026 0.0157 0.0564
Loa Loa (eye worm) hypothetical protein 0.0025 0.0135 0.0485
Schistosoma mansoni lamin 0.0026 0.0157 0.0316
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0157 0.0564
Loa Loa (eye worm) hypothetical protein 0.0026 0.0151 0.0542
Brugia malayi hypothetical protein 0.0025 0.0135 0.0485
Echinococcus granulosus geminin 0.0166 0.1946 0.4333
Entamoeba histolytica hypothetical protein 0.0035 0.027 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0246 0.0884
Schistosoma mansoni hypothetical protein 0.0166 0.1946 0.4333
Echinococcus granulosus lamin 0.0026 0.0157 0.0316
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0135 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0157 0.0564
Entamoeba histolytica hypothetical protein 0.0035 0.027 0.5
Echinococcus granulosus sodium:glucose cotransporter 0.0363 0.447 1
Brugia malayi Sodium:solute symporter family protein 0.0093 0.1006 0.3607
Echinococcus granulosus sodium:myo inositol cotransporter 0.0363 0.447 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0135 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0246 0.0884
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0017 0.0061
Brugia malayi hypothetical protein 0.0148 0.1716 0.6155
Brugia malayi hypothetical protein 0.0016 0.0023 0.0082
Echinococcus multilocularis lamin dm0 0.0026 0.0157 0.0141
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0017 0.006
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0445 0.1595
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0363 0.447 0.4461
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0093 0.1006 0.222
Loa Loa (eye worm) hypothetical protein 0.0026 0.0157 0.0564
Schistosoma mansoni inositol transporter 0.0363 0.447 1
Leishmania major hypothetical protein, conserved 0.0025 0.0135 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0424 0.1522
Brugia malayi hypothetical protein 0.0035 0.027 0.097
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0363 0.447 0.4461
Loa Loa (eye worm) hypothetical protein 0.0148 0.1716 0.6155
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2788 0.2776
Schistosoma mansoni inositol transporter 0.0363 0.447 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0017 0.006
Schistosoma mansoni hypothetical protein 0.0033 0.0246 0.0516
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0135 1
Brugia malayi GH02984p 0.0093 0.1006 0.3607
Schistosoma mansoni hypothetical protein 0.0035 0.027 0.057
Loa Loa (eye worm) hypothetical protein 0.0093 0.1006 0.3607
Onchocerca volvulus 0.0148 0.1716 1
Echinococcus multilocularis musashi 0.0026 0.0157 0.0141
Schistosoma mansoni lamin 0.0026 0.0157 0.0316
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0017 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0017 0.006
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0135 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0017 0.0061
Schistosoma mansoni high-affinity choline transporter 0.0093 0.1006 0.222
Schistosoma mansoni hypothetical protein 0.0166 0.1946 0.4333
Loa Loa (eye worm) hypothetical protein 0.0049 0.0445 0.1595
Schistosoma mansoni hypothetical protein 0.0047 0.0424 0.0915
Brugia malayi hypothetical protein 0.0232 0.2788 1
Echinococcus multilocularis solute carrier family 5 0.0363 0.447 0.4461
Echinococcus multilocularis high affinity choline transporter 1 0.0093 0.1006 0.0991
Schistosoma mansoni intermediate filament proteins 0.0026 0.0157 0.0316
Loa Loa (eye worm) hypothetical protein 0.0093 0.1006 0.3607
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0093 0.1006 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0017 0.006
Loa Loa (eye worm) hypothetical protein 0.0232 0.2788 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0157 0.0564
Echinococcus granulosus lamin dm0 0.0026 0.0157 0.0316
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0445 0.1595
Echinococcus granulosus sodium:glucose cotransporter 2 0.0363 0.447 1
Entamoeba histolytica hypothetical protein 0.0035 0.027 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.5 nM Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay ChEMBL. 19785435
IC50 (binding) = 36 nM Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake ChEMBL. 19785435

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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