Detailed information for compound 560880

Basic information

Technical information
  • TDR Targets ID: 560880
  • Name: [6-hydroxy-5,9-dimethyl-1-[(E)-1-methyl-3-oxo -but-1-enyl]-7-oxo-8-(2-oxopropanoylamino)ben zo[f][1,3]benzodioxin-10-yl] acetate
  • MW: 469.441 | Formula: C24H23NO9
  • H donors: 2 H acceptors: 6 LogP: 0.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)C=C(C1=c2c3=C(OC(=O)C)C(=C(C(=O)c3c(c(c2OCO1)C)O)NC(=O)C(=O)C)C)C
  • InChi: 1S/C24H23NO9/c1-9(7-10(2)26)21-17-15-16(19(29)12(4)22(17)33-8-32-21)20(30)18(25-24(31)13(5)27)11(3)23(15)34-14(6)28/h7,29H,8H2,1-6H3,(H,25,31)/b9-7+
  • InChiKey: HPPCQOVVWQZCQG-VQHVLOKHSA-N  

Network

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Synonyms

  • acetic acid [8-(1,2-dioxopropylamino)-6-hydroxy-5,9-dimethyl-1-[(E)-1-methyl-3-oxobut-1-enyl]-7-oxo-10-benzo[f][1,3]benzodioxinyl] ester
  • [6-hydroxy-5,9-dimethyl-7-oxo-1-[(E)-4-oxopent-2-en-2-yl]-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] ethanoate
  • acetic acid [6-hydroxy-7-keto-1-[(E)-3-keto-1-methyl-but-1-enyl]-5,9-dimethyl-8-pyruvamido-benzo[f][1,3]benzodioxin-10-yl] ester
  • [6-hydroxy-5,9-dimethyl-7-oxo-1-[(E)-4-oxopent-2-en-2-yl]-8-(2-oxopropanoylamino)benzo[f][1,3]benzodioxin-10-yl] acetate
  • streptovarone
  • 36108-44-8
  • Propanamide, N-(10-(acetyloxy)-7-hydroxy-5,9-dimethyl-1-(1-methyl-3-oxo-1-butenyl)-6-oxo-6H-naphtho(2,1-d)(1,3)dioxin-8-yl)-2-oxo-, (E)-

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
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.2269 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.2269 0.1996
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.2269 0.1996
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.2269 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.1333 0.1333
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.2269 0.1996
Echinococcus granulosus intermediate filament protein 0.0028 1 1
Onchocerca volvulus 0.0028 1 0.5
Brugia malayi isocitrate dehydrogenase 0.0016 0.2269 0.108
Brugia malayi Isocitrate dehydrogenase 0.0016 0.2269 0.108
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.2269 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0342 0.0342
Echinococcus multilocularis lamin dm0 0.0028 1 1
Echinococcus granulosus lamin 0.0028 1 1
Onchocerca volvulus 0.0028 1 0.5
Schistosoma mansoni lamin 0.0028 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.2269 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.9658 0.9658
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.2269 0.1996
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 1 1
Echinococcus multilocularis lamin 0.0028 1 1
Echinococcus granulosus lamin dm0 0.0028 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.2269 0.2269
Schistosoma mansoni intermediate filament proteins 0.0028 1 1
Schistosoma mansoni lamin 0.0028 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.2269 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.2269 0.5
Echinococcus multilocularis musashi 0.0028 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.2269 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.2269 0.1996
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.2269 0.5
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.2269 0.1996
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.2269 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.2269 0.5

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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