Detailed information for compound 2072617

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.448 | Formula: C23H25NO5
  • H donors: 1 H acceptors: 2 LogP: 2.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)OC/C(=C\c1ccc(cc1)OCCCN1CCOCC1)/C2=O
  • InChi: 1S/C23H25NO5/c25-19-4-7-21-22(15-19)29-16-18(23(21)26)14-17-2-5-20(6-3-17)28-11-1-8-24-9-12-27-13-10-24/h2-7,14-15,25H,1,8-13,16H2/b18-14+
  • InChiKey: UZGXMISQRXXITO-NBVRZTHBSA-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
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.1186 0.912 1
Loa Loa (eye worm) Gln-2 protein 0.0534 0.327 0.327
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0945 0.6958 0.8878
Plasmodium vivax glutamine synthetase, putative 0.1008 0.7525 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.0167 0.0167
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.0713 0.4875 0.4467
Loa Loa (eye worm) hypothetical protein 0.0267 0.088 0.088
Toxoplasma gondii glutamine synthetase, type I, putative 0.1008 0.7525 0.5
Trypanosoma brucei glutamine synthetase, putative 0.0534 0.327 0.5
Trypanosoma cruzi glutamine synthetase, putative 0.0534 0.327 0.5
Trichomonas vaginalis glutamine synthetase, putative 0.0238 0.062 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0874 0.6319 0.6319
Brugia malayi Metabotropic glutamate receptor precursor. 0.1043 0.7838 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0181 0.0106 0.0116
Loa Loa (eye worm) hypothetical protein 0.0258 0.0796 0.0796
Schistosoma mansoni glutamine synthetase bacteria 0.0713 0.4875 0.5345
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0534 0.327 0.3586
Schistosoma mansoni metabotropic glutamate receptor 0.0874 0.6319 0.6929
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0713 0.4875 0.5
Leishmania major glutamine synthetase, putative 0.0534 0.327 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0508 0.3042 0.3335
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0276 0.0961 0.0961
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0267 0.088 0.088
Echinococcus granulosus glutamine synthetase 0.0534 0.327 0.327
Onchocerca volvulus Glutamine synthetase homolog 0.0534 0.327 1
Mycobacterium ulcerans glutamine synthetase 0.1008 0.7525 1
Mycobacterium ulcerans glutamine synthetase GlnA1 0.1008 0.7525 1
Entamoeba histolytica glutamine synthetase, putative 0.0238 0.062 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0874 0.6319 0.6319
Loa Loa (eye worm) hypothetical protein 0.0283 0.1021 0.1021
Brugia malayi Receptor family ligand binding region containing protein 0.0267 0.088 0.1122
Echinococcus multilocularis metabotropic glutamate receptor 5 0.1284 1 1
Entamoeba histolytica glutamine synthetase, putative 0.0238 0.062 0.5
Loa Loa (eye worm) glutamate receptor 0.041 0.2162 0.2162
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.1008 0.7525 1
Echinococcus multilocularis glutamine synthetase 0.0534 0.327 0.327
Loa Loa (eye worm) hypothetical protein 0.1284 1 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0267 0.088 0.088
Schistosoma mansoni glutamine synthetase bacteria 0.0713 0.4875 0.5345
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.1008 0.7525 1
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0238 0.062 0.5
Loa Loa (eye worm) glutamate receptor 0.1043 0.7838 0.7838
Trypanosoma cruzi glutamine synthetase, putative 0.0534 0.327 0.5
Mycobacterium ulcerans hypothetical protein 0.0474 0.2736 0.3064
Brugia malayi metabotropic glutamate receptor type 2 0.0508 0.3042 0.3881
Plasmodium falciparum glutamine synthetase, putative 0.1008 0.7525 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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