Detailed information for compound 185985

Basic information

Technical information
  • TDR Targets ID: 185985
  • Name: 3-(1-hydroxyethyl)-5-methoxy-1,2-dimethylindo le-4,7-dione
  • MW: 249.262 | Formula: C13H15NO4
  • H donors: 1 H acceptors: 3 LogP: 0.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC1=CC(=O)c2c(C1=O)c(C(O)C)c(n2C)C
  • InChi: 1S/C13H15NO4/c1-6-10(7(2)15)11-12(14(6)3)8(16)5-9(18-4)13(11)17/h5,7,15H,1-4H3
  • InChiKey: DEKPSPCIEBKNSC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-hydroxyethyl)-5-methoxy-1,2-dimethyl-indole-4,7-dione
  • 3-(1-hydroxyethyl)-5-methoxy-1,2-dimethyl-indole-4,7-quinone

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 granulosus neuropeptide receptor A26 0.0475 0.5617 1
Schistosoma mansoni glutaminase 0.0281 0.3239 1
Loa Loa (eye worm) glutaminase 0.0281 0.3239 1
Echinococcus multilocularis neuropeptide receptor A26 0.0475 0.5617 0.5617
Echinococcus multilocularis geminin 0.0174 0.1932 0.1932
Brugia malayi glutaminase DH11.1 0.0281 0.3239 1
Echinococcus granulosus geminin 0.0174 0.1932 0.344
Schistosoma mansoni hypothetical protein 0.0035 0.023 0.071
Loa Loa (eye worm) hypothetical protein 0.0126 0.1342 0.4143
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0 0.5
Onchocerca volvulus 0.0387 0.4537 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0111 0.1159 0.3577
Loa Loa (eye worm) glutaminase 2 0.0281 0.3239 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.011 0.1152 0.3557
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0475 0.5617 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Echinococcus granulosus transcription factor eb 0.0111 0.1159 0.2063
Loa Loa (eye worm) hypothetical protein 0.011 0.1152 0.3557
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0428 0.1322
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0475 0.5617 0.5617
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0428 0.1322
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0 0.5
Echinococcus multilocularis transcription factor eb 0.0111 0.1159 0.1159
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.023 0.071
Trichomonas vaginalis glutaminase, putative 0.0281 0.3239 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.023 0.071
Brugia malayi hypothetical protein 0.0126 0.1342 0.4143
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0428 0.1322
Mycobacterium ulcerans glutaminase 0.0281 0.3239 0.5
Loa Loa (eye worm) hypothetical protein 0.0126 0.1342 0.4143
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0174 0.1932 0.5966
Loa Loa (eye worm) hypothetical protein 0.0051 0.0428 0.1322
Schistosoma mansoni hypothetical protein 0.0174 0.1932 0.5966
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Metabolism (functional) = 10.4 uM min-1mg-1 NADH oxidation is used as a measure of the compound metabolism since 1 mol of NADH is oxidized for each mole of compound that is reduced ChEMBL. 11563930
Metabolism (functional) = 10.4 uM min-1mg-1 NADH oxidation is used as a measure of the compound metabolism since 1 mol of NADH is oxidized for each mole of compound that is reduced ChEMBL. 11563930

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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