Detailed information for compound 2111487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 434.15 | Formula: C23H27ClO6
  • H donors: 4 H acceptors: 4 LogP: 2.74 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 0
  • SMILES: OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1cc(Cc2ccc(cc2)C)c(c2c1OCCC2)Cl
  • InChi: InChI=1S/C23H27ClO6/c1-12-4-6-13(7-5-12)9-14-10-16(22-15(18(14)24)3-2-8-29-22)23-21(28)20(27)19(26)17(11-25)30-23/h4-7,10,17,19-21,23,25-28H,2-3,8-9,11H2,1H3/t17-,19-,20+,21-,23+/m0/s1
  • InChiKey: GVYSTCOUZLXZES-RCDUEUHRSA-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 1 No references
Homo sapiens solute carrier family 5 (sodium/glucose cotransporter), member 2 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis sodium:myo inositol cotransporter 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 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
Echinococcus granulosus sodium:glucose cotransporter 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
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 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
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0079 0.1754 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0268 0.0621
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.1438 0.1438
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0079 0.1754 0.1754
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.078 1
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0068 0.0754
Loa Loa (eye worm) hypothetical protein 0.0027 0.0268 0.0621
Brugia malayi GH02984p 0.0093 0.2162 0.5018
Loa Loa (eye worm) hypothetical protein 0.0079 0.1754 0.4071
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2892 0.2892
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0157
Loa Loa (eye worm) hypothetical protein 0.0093 0.2162 0.5018
Brugia malayi jmjC domain containing protein 0.0068 0.1438 0.3337
Loa Loa (eye worm) hypothetical protein 0.0027 0.0268 0.0621
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0268 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0898 0.0898
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0157
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.1438 0.1438
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0068 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0268 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0079 0.1754 0.1754
Onchocerca volvulus 0.0093 0.2162 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0018 0 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0 0.5
Echinococcus granulosus sodium:myo inositol cotransporter 0.0363 1 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0118 0.2892 0.2892
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2892 0.2892
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0268 1
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0093 0.2162 0.7477
Brugia malayi jmjC domain containing protein 0.0068 0.1438 0.3337
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0068 0.139
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0093 0.2162 0.2162
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0268 0.0621
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2892 0.2892
Echinococcus granulosus sodium:glucose cotransporter 2 0.0363 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0068 0.1438 0.1438
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0068 0.1438 0.1438
Echinococcus multilocularis high affinity choline transporter 1 0.0093 0.2162 0.2162
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2892 0.2892
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0157
Schistosoma mansoni inositol transporter 0.0363 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0268 1
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0068 0.0869
Schistosoma mansoni jumonji domain containing protein 0.0068 0.1438 0.1438
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0268 1
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.078 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.0268 0.5
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0363 1 1
Toxoplasma gondii melibiase subfamily protein 0.0118 0.2892 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0167 0.4309 0.4309
Schistosoma mansoni high-affinity choline transporter 0.0093 0.2162 0.2162
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0268 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0157
Brugia malayi Sodium:solute symporter family protein 0.0093 0.2162 0.5018
Echinococcus granulosus high affinity choline transporter 1 0.0093 0.2162 0.2162
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0167 0.4309 0.4309
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.1438 0.3337
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0268 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0268 0.0621
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0898 0.3106
Schistosoma mansoni inositol transporter 0.0363 1 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0118 0.2892 0.2892
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0363 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0268 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0268 1
Schistosoma mansoni sodium/solute symporter 0.0093 0.2162 0.2162
Echinococcus granulosus solute carrier family 5 0.0363 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0167 0.4309 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0118 0.2892 0.2892
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0068 0.1438 0.1438
Loa Loa (eye worm) acetyltransferase 0.0167 0.4309 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0268 0.0621
Loa Loa (eye worm) hypothetical protein 0.002 0.0068 0.0157
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.078 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0268 1
Echinococcus multilocularis solute carrier family 5 0.0363 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0898 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0268 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.1438 0.1438
Brugia malayi Melibiase family protein 0.0079 0.1754 0.4071
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0093 0.2162 0.2162
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0898 0.3106
Loa Loa (eye worm) hypothetical protein 0.0093 0.2162 0.5018
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0268 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0162 0.4174 0.4174

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.1 nM SGLT2 Inhibition Assay BINDINGDB. No reference
IC50 (binding) = 9.2 nM SGLT1 Inhibition Assay BINDINGDB. No reference

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

No literature references available for this target.

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