Detailed information for compound 214138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.317 | Formula: C14H18N4O5
  • H donors: 4 H acceptors: 6 LogP: -0.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[C@H]([C@@H]1O[C@@H]([C@H]([C@@H]1O)O)n1ccc(=O)c2c1ncnc2N)O
  • InChi: 1S/C14H18N4O5/c1-2-6(19)11-9(21)10(22)14(23-11)18-4-3-7(20)8-12(15)16-5-17-13(8)18/h3-6,9-11,14,19,21-22H,2H2,1H3,(H2,15,16,17)/t6?,9-,10+,11+,14+/m0/s1
  • InChiKey: GIXHONXOKCBPJL-KOFPZKERSA-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
Onchocerca volvulus Glutamine synthetase homolog 0.0358 0.4426 0.5
Mycobacterium ulcerans hypothetical protein 0.0333 0.4013 0.3164
Toxoplasma gondii glutamine synthetase, type I, putative 0.0691 1 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0111 0.0302 1
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0691 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0127 0.0558 0.0819
Echinococcus multilocularis glutamine synthetase 0.0358 0.4426 1
Trypanosoma cruzi glutamine synthetase, putative 0.0358 0.4426 0.5
Entamoeba histolytica glutamine synthetase, putative 0.0167 0.1242 0.5
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0691 1 1
Plasmodium falciparum glutamine synthetase, putative 0.0691 1 0.5
Loa Loa (eye worm) Gln-2 protein 0.0358 0.4426 1
Schistosoma mansoni glutamine synthetase bacteria 0.05 0.6816 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0137 0.0733 0.1657
Entamoeba histolytica glutamine synthetase, putative 0.0167 0.1242 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0137 0.0733 0.1657
Loa Loa (eye worm) hypothetical protein 0.0137 0.0733 0.1044
Trypanosoma brucei glutamine synthetase, putative 0.0358 0.4426 0.5
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0358 0.4426 0.6493
Plasmodium vivax glutamine synthetase, putative 0.0691 1 0.5
Leishmania major glutamine synthetase, putative 0.0358 0.4426 0.5
Mycobacterium ulcerans glutamine synthetase 0.0691 1 1
Trichomonas vaginalis glutamine synthetase, putative 0.0167 0.1242 0.5
Echinococcus granulosus glutamine synthetase 0.0358 0.4426 1
Schistosoma mansoni glutamine synthetase bacteria 0.05 0.6816 1
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0167 0.1242 0.5
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.05 0.6816 0.4681
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.05 0.6816 0.5
Trypanosoma cruzi glutamine synthetase, putative 0.0358 0.4426 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 16.3 uM Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in B16 mouse melanoma cells using MTS assay. ChEMBL. 11020285
EC50 (functional) = 17.3 uM Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in human prostate cancer HTB-81 cells using MTS assay. ChEMBL. 11020285
EC50 (functional) = 18.9 uM Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in normal human fibroblast (NHF) cells using MTS assay. ChEMBL. 11020285

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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