Detailed information for compound 1514473

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 478.403 | Formula: C22H22O12
  • H donors: 8 H acceptors: 9 LogP: -0.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2O)c2oc3cc(O)cc(c3c(=O)c2CO)O)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C22H22O12/c23-6-10-17(28)16-12(27)4-9(25)5-14(16)32-21(10)8-1-2-13(11(26)3-8)33-22-20(31)19(30)18(29)15(7-24)34-22/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1
  • InChiKey: XTPXAOSAGWJNDB-VQIXPAPJSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0054 0.0074
Loa Loa (eye worm) hypothetical protein 0.0015 0.0052 0.0052
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0762 1
Echinococcus granulosus voltage gated potassium channel 0.0032 0.1322 0.1816
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0054 0.0711
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0052 0.0072
Schistosoma mansoni voltage-gated potassium channel 0.0121 0.8047 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.6169 0.6169
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0054 0.0711
Loa Loa (eye worm) hypothetical protein 0.0033 0.1398 0.1398
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.1322 0.1643
Brugia malayi MH2 domain containing protein 0.0116 0.7668 0.7668
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0022 0.0552 0.0686
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0762 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0022 0.0552 0.082
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1398 0.1398
Brugia malayi hypothetical protein 0.0025 0.0762 0.0762
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.7668 0.7668
Entamoeba histolytica hypothetical protein 0.0035 0.1537 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0762 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0054 0.0711
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.0552 0.0686
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0022 0.0552 0.0758
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1537 0.2113
Schistosoma mansoni hypothetical protein 0.0015 0.0052 0.0065
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0103 0.6725 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0054 0.0074
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0052 0.0072
Loa Loa (eye worm) hypothetical protein 0.0032 0.1322 0.1322
Echinococcus granulosus hyperpolarization activated cyclic 0.0022 0.0552 0.0758
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0054 1
Echinococcus granulosus GPCR family 2 0.0015 0.0052 0.0072
Echinococcus multilocularis voltage gated potassium channel 0.0032 0.1322 0.1816
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0022 0.0552 0.0686
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0022 0.0552 0.0758
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0052 0.0052
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0762 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0022 0.0552 0.0758
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0054 0.0067
Schistosoma mansoni hypothetical protein 0.0033 0.1398 0.1737
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0111 0.7276 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0052 0.0052
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0022 0.0552 0.0552
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0762 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0111 0.7276 1
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0054 0.0711
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0022 0.0552 0.0758
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2557 0.2557
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0052 0.0072
Leishmania major hypothetical protein, conserved 0.0025 0.0762 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0035 0.1537 0.1911
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0103 0.6725 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1537 0.2113
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.7668 0.7668
Entamoeba histolytica hypothetical protein 0.0035 0.1537 0.5
Echinococcus granulosus hyperpolarization activated cyclic 0.0022 0.0552 0.0758
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0022 0.0552 0.0758
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0052 0.0052
Echinococcus multilocularis hyperpolarization activated cyclic 0.0022 0.0552 0.0758
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0111 0.7276 0.7276
Brugia malayi hypothetical protein 0.0016 0.01 0.01
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0762 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.0552 0.0686
Loa Loa (eye worm) hypothetical protein 0.0048 0.2557 0.2557
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0074
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0074
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1537 0.1911
Brugia malayi hypothetical protein 0.0035 0.1537 0.1537
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.0552 0.0686
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0054 0.0054
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0054 0.0054
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.1322 0.1643
Echinococcus multilocularis GPCR, family 2 0.0015 0.0052 0.0072
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0054 0.0711
Entamoeba histolytica hypothetical protein 0.0035 0.1537 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0052 0.0065
Schistosoma mansoni 60S ribosomal protein L21 0.0017 0.0215 0.0267
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2557 0.2557
Loa Loa (eye worm) hypothetical protein 0.0022 0.0552 0.0552
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0074
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0022 0.0552 0.0758
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0054 0.0711
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0052 0.0072
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.0552 0.0686
Schistosoma mansoni hypothetical protein 0.0015 0.0052 0.0065
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0022 0.0552 0.0758
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0054 0.0711
Brugia malayi Cyclic-nucleotide gated cation channel 0.0022 0.0552 0.0552
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0111 0.7276 0.7276
Schistosoma mansoni voltage-gated potassium channel 0.0121 0.8047 1
Entamoeba histolytica hypothetical protein 0.0035 0.1537 0.5
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0022 0.0552 0.0552
Schistosoma mansoni hypothetical protein 0.0015 0.0052 0.0065
Loa Loa (eye worm) hypothetical protein 0.0025 0.0762 0.0762
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0054 0.0074
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0054 0.0711
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0022 0.0552 0.082
Echinococcus multilocularis hyperpolarization activated cyclic 0.0022 0.0552 0.0758
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0054 0.0711
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0032 0.1322 0.1816
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0032 0.1322 0.1816
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0032 0.1322 0.1322
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2557 0.2557
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0762 1
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0215 0.0267

Activities

No activities found for this compound.

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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