Detailed information for compound 2094878

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 542.617 | Formula: C30H38O9
  • H donors: 0 H acceptors: 4 LogP: 3.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3C[C@]2(OC3(C)C)[C@@H](C[C@@H]([C@@H]1OC(=O)C)OC(=O)C)C
  • InChi: 1S/C30H38O9/c1-18-14-24(36-20(3)32)27(37-21(4)33)29(17-35-19(2)31)25(15-23-16-30(18,29)39-28(23,5)6)38-26(34)13-12-22-10-8-7-9-11-22/h7-13,18,23-25,27H,14-17H2,1-6H3/b13-12+/t18-,23-,24+,25+,27+,29-,30+/m1/s1
  • InChiKey: WGIZVLRLXVDVGA-FWWHCXPGSA-N  

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
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.167 0.167
Schistosoma mansoni metabotropic glutamate receptor 0.0088 0.1007 0.3584
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0156 0.2139 0.2139
Loa Loa (eye worm) glutamate receptor 0.0068 0.0676 0.0676
Brugia malayi Receptor family ligand binding region containing protein 0.0048 0.0347 0.0347
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0148 0.2007 0.5007
Brugia malayi follicle stimulating hormone receptor 0.0226 0.3301 0.3301
Schistosoma mansoni metabotropic glutamate receptor 0.0148 0.2007 0.7164
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0 0.5
Onchocerca volvulus Poor gastrulation protein homolog 0.0028 0.0016 0.5
Brugia malayi MH2 domain containing protein 0.0128 0.167 0.167
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.3301 0.3301
Brugia malayi metabotropic glutamate receptor type 2 0.0088 0.1007 0.1007
Brugia malayi Metabotropic glutamate receptor precursor. 0.0176 0.247 0.247
Echinococcus granulosus GPCR family 3 C terminal 0.0028 0.0016 0.0033
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0251 0.3705 0.3705
Loa Loa (eye worm) glutamate receptor 0.0176 0.247 0.247
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0028 0.0016 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0196 0.2799 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0148 0.2007 0.6405
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0048 0.0347 0.0347
Loa Loa (eye worm) hypothetical protein 0.0048 0.0347 0.0347
Schistosoma mansoni hypothetical protein 0.0028 0.0016 0.0037
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0275 0.411 0.411
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0216 0.313 0.7818
Loa Loa (eye worm) hypothetical protein 0.0183 0.2577 0.2577
Loa Loa (eye worm) hypothetical protein 0.0216 0.313 0.313
Loa Loa (eye worm) hypothetical protein 0.0028 0.0016 0.0016
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0631 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.167 0.167
Echinococcus granulosus metabotropic glutamate receptor 5 0.0216 0.313 1
Echinococcus multilocularis GPCR, family 3, C terminal 0.0028 0.0016 0.0026
Leishmania major hypothetical protein, conserved 0.0027 0 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0176 0.2468 0.8816
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0048 0.0347 0.0347
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0028 0.0016 0.0016
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0 0.5
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0269 0.4002 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0 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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