Detailed information for compound 1519847

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.92 | Formula: C21H22ClNO7S
  • H donors: 4 H acceptors: 5 LogP: 1.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(Cc2ncc(s2)c2cocc2)c(cc1OC)Cl
  • InChi: 1S/C21H22ClNO7S/c1-28-14-6-13(22)11(5-17-23-7-16(31-17)10-2-3-29-9-10)4-12(14)21-20(27)19(26)18(25)15(8-24)30-21/h2-4,6-7,9,15,18-21,24-27H,5,8H2,1H3/t15-,18-,19+,20-,21+/m1/s1
  • InChiKey: OQDKIDRKHVAQOH-GRARQNNCSA-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 solute carrier family 5 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
Echinococcus multilocularis sodium:glucose cotransporter 2 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
Schistosoma japonicum Sodium/myo-inositol cotransporter, putative 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 sodium:myo inositol 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 granulosus sodium:glucose cotransporter 2 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

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) hypothetical protein 0.005 0.0532 0.0532
Echinococcus multilocularis ecdysone induced protein 78C 0.005 0.0532 0.1879
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0 0.5
Brugia malayi ecdysteroid receptor 0.005 0.0532 0.0532
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0026 0.0118 0.0417
Brugia malayi hypothetical protein 0.0026 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0026 0.0118 0.0118
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0299 0.1055
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0024 0.0068 0.0242
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0068 0.0242
Trypanosoma brucei DNA polymerase IV, putative 0.002 0 0.5
Brugia malayi GH02984p 0.0046 0.0465 0.0465
Brugia malayi hypothetical protein 0.0067 0.0835 0.0835
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0068 0.0242
Entamoeba histolytica hypothetical protein 0.0037 0.0299 1
Echinococcus multilocularis jun protein 0.0086 0.1158 0.409
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0068 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0532 0.0532
Brugia malayi hypothetical protein 0.0024 0.0068 0.0068
Brugia malayi photoreceptor-specific nuclear receptor 0.005 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Schistosoma mansoni nuclear hormone receptor 0.005 0.0532 0.1879
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0124 0.1834 0.6475
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0118 0.0417
Loa Loa (eye worm) hypothetical protein 0.0591 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0299 1
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0465 0.1643
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0026 0.0118 0.0118
Brugia malayi hypothetical protein 0.0037 0.0299 0.0299
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.005 0.0532 0.1879
Schistosoma mansoni sodium/solute symporter 0.0046 0.0465 0.1643
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Brugia malayi MH2 domain containing protein 0.0122 0.1793 0.1793
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0026 0.0118 0.0417
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Schistosoma mansoni jun-related protein 0.007 0.0877 0.3095
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0532 0.1879
Schistosoma mansoni hypothetical protein 0.0037 0.0299 0.1055
Loa Loa (eye worm) hypothetical protein 0.0046 0.0465 0.0465
Schistosoma mansoni hypothetical protein 0.007 0.0877 0.3095
Trypanosoma brucei DNA polymerase eta, putative 0.002 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0068 0.0242
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0068 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0024 0.0068 0.0242
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0046 0.0465 0.0465
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.005 0.0532 0.1879
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0532 0.1879
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.005 0.0532 0.0532
Echinococcus multilocularis FTZ F1 alpha 0.005 0.0532 0.1879
Schistosoma mansoni inositol transporter 0.0181 0.2833 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0024 0.0068 0.0068
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0151 0.2298 0.8112
Loa Loa (eye worm) hypothetical protein 0.0084 0.1117 0.1117
Echinococcus multilocularis thyroid hormone receptor alpha 0.0179 0.2787 0.9839
Echinococcus multilocularis high affinity choline transporter 1 0.0046 0.0465 0.1643
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Onchocerca volvulus 0.005 0.0532 0.6047
Trypanosoma brucei DNA polymerase IV, putative 0.002 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.1158 0.409
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0068 0.0242
Echinococcus granulosus jun protein 0.0086 0.1158 0.409
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0532 0.0532
Echinococcus granulosus solute carrier family 5 0.0181 0.2833 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0026 0.0118 0.0417
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0068 0.0242
Brugia malayi ecdysone receptor 0.0024 0.0068 0.0068
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.005 0.0532 0.1879
Loa Loa (eye worm) nuclear hormone receptor 0.0024 0.0068 0.0068
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0024 0.0068 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-40 0.005 0.0532 0.0532
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0465 0.1643
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.1909 0.674
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0068 0.0242
Brugia malayi orphan nuclear receptor NR2E1 0.0024 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Schistosoma mansoni nuclear receptor 0.0024 0.0068 0.0242
Loa Loa (eye worm) steroid hormone receptor 0.005 0.0532 0.0532
Brugia malayi hypothetical protein 0.0024 0.0068 0.0068
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0026 0.0118 0.0118
Brugia malayi nuclear receptor RXR 0.0024 0.0068 0.0068
Brugia malayi hypothetical protein 0.0026 0.0118 0.0118
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0299 0.1055
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0973 0.3436
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.005 0.0532 0.0532
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0532 0.1879
Brugia malayi nuclear hormone receptor 0.005 0.0532 0.0532
Brugia malayi nuclear receptor RXR 0.0026 0.0118 0.0118
Schistosoma mansoni RAR-like nuclear receptor 0.005 0.0532 0.1879
Leishmania major DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.005 0.0532 0.1879
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0465 0.0465
Trypanosoma brucei unspecified product 0.002 0 0.5
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0181 0.2833 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.005 0.0532 0.1879
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.1909 0.674
Schistosoma mansoni thyroid hormone receptor 0.0179 0.2787 0.9839
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0024 0.0068 0.0068
Brugia malayi Steroid receptor seven-up type 2 0.005 0.0532 0.0532
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0118 0.0118
Onchocerca volvulus 0.0067 0.0835 1
Brugia malayi nuclear hormone receptor 0.0024 0.0068 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.0068 0.0242
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.005 0.0532 0.1879
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0024 0.0068 0.0242
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0118 0.0118
Loa Loa (eye worm) DR-78 0.0024 0.0068 0.0068
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0973 0.3436
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0532 0.0532
Schistosoma mansoni inositol transporter 0.0181 0.2833 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0181 0.2833 1
Echinococcus granulosus sodium:myo inositol cotransporter 0.0181 0.2833 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.0532 0.1879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.005 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-41 0.005 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-14 0.005 0.0532 0.0532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.005 0.0532 0.0532
Onchocerca volvulus Bile acid receptor homolog 0.005 0.0532 0.6047
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0532 0.0532
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.005 0.0532 0.1879
Brugia malayi Nuclear hormone receptor family member nhr-31 0.005 0.0532 0.0532
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.005 0.0532 0.1879
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0068 0.0242
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.005 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Onchocerca volvulus 0.0046 0.0465 0.5175
Echinococcus multilocularis nuclear receptor nhr 48 0.0024 0.0068 0.0242
Echinococcus granulosus ecdysone induced protein 78C 0.005 0.0532 0.1879
Brugia malayi Nuclear hormone receptor family member nhr-49 0.005 0.0532 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-1 0.005 0.0532 0.0532
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0024 0.0068 0.0068
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0118 0.0118
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.005 0.0532 0.1879
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0532 0.0532
Echinococcus granulosus thyroid hormone receptor alpha 0.0024 0.0068 0.0242
Onchocerca volvulus Protein ultraspiracle homolog 0.005 0.0532 0.6047
Entamoeba histolytica hypothetical protein 0.0037 0.0299 1
Echinococcus granulosus nuclear receptor nhr 48 0.0024 0.0068 0.0242
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.005 0.0532 0.1879
Echinococcus granulosus high affinity choline transporter 1 0.0046 0.0465 0.1643
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0068 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0 0.5
Schistosoma mansoni high-affinity choline transporter 0.0046 0.0465 0.1643
Loa Loa (eye worm) hypothetical protein 0.0026 0.0118 0.0118
Schistosoma mansoni nuclear receptor nhr-48 0.0024 0.0068 0.0242
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0532 0.1879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.005 0.0532 0.0532
Schistosoma mansoni hypothetical protein 0.0129 0.1909 0.674
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Brugia malayi tailless protein 0.0024 0.0068 0.0068
Schistosoma mansoni retinoic acid receptor RXR 0.0151 0.2298 0.8112
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Leishmania major DNA polymerase eta, putative 0.002 0 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0024 0.0068 0.0068
Schistosoma mansoni coup transcription factor 0.005 0.0532 0.1879
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0532 0.0532
Brugia malayi conserved hypotetical protein 0.0024 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.005 0.0532 0.1879
Trypanosoma brucei DNA polymerase IV, putative 0.002 0 0.5
Brugia malayi steroid hormone receptor 0.005 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0024 0.0068 0.0068
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.005 0.0532 0.1879
Echinococcus multilocularis solute carrier family 5 0.0181 0.2833 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1793 0.1793
Echinococcus granulosus sodium:glucose cotransporter 2 0.0181 0.2833 1
Echinococcus granulosus FTZ F1 alpha 0.005 0.0532 0.1879
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.005 0.0532 0.6047
Echinococcus granulosus sodium:glucose cotransporter 0.0181 0.2833 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0024 0.0068 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-3 0.005 0.0532 0.0532
Giardia lamblia DINP protein human, muc B family 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0532 0.0532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.005 0.0532 0.0532
Brugia malayi nuclear receptor NHR-67 0.0024 0.0068 0.0068
Schistosoma mansoni thyroid hormone receptor 0.0179 0.2787 0.9839
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0118 0.0118
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0465 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1793 0.1793
Brugia malayi nuclear receptor NHR-88 0.005 0.0532 0.0532
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0299 0.1055
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0299 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.005 0.0532 0.1879
Brugia malayi nuclear receptor NHR-88 0.0024 0.0068 0.0068
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.005 0.0532 0.1879
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0 0.5
Brugia malayi bZIP transcription factor family protein 0.0086 0.1158 0.1158
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.1158 0.409
Schistosoma mansoni nuclear receptor 0.0024 0.0068 0.0242

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.37 nM Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-D-glucopyranoside uptake after 2 hrs by liquid scintillation counter ChEMBL. 21514014

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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