Detailed information for compound 1369017

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.338 | Formula: C16H18N4O5
  • H donors: 1 H acceptors: 3 LogP: 2.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/C(=C(\C(=O)OC)/N=Nc1c(C)n(n(c1=O)c1ccccc1)C)/O
  • InChi: 1S/C16H18N4O5/c1-10-12(17-18-13(15(22)24-3)16(23)25-4)14(21)20(19(10)2)11-8-6-5-7-9-11/h5-9,22H,1-4H3/b15-13+,18-17?
  • InChiKey: DONWRONNQYLBQG-JKEFLYSTSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055

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 lysosomal alpha glucosidase 0.0197 0.0979 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0979 1
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0175 0.0727 0.5
Trypanosoma brucei N-myristoyl transferase, putative 0.0175 0.0727 0.5
Trypanosoma brucei N-myristoyltransferase 0.0175 0.0727 0.5
Mycobacterium ulcerans naphthoate synthase 0.0961 1 0.5
Schistosoma mansoni N-myristoyltransferase 0.0175 0.0727 1
Giardia lamblia CDC72 0.0175 0.0727 0.5
Echinococcus multilocularis muscleblind protein 1 0.018 0.0786 0.2345
Echinococcus multilocularis muscleblind protein 0.018 0.0786 0.2345
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0979 1
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.0961 1 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0979 1
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0175 0.0727 0.5
Leishmania major N-myristoyl transferase, putative 0.0175 0.0727 0.5
Trypanosoma cruzi N-myristoyl transferase, putative 0.0175 0.0727 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0786 0.2345
Onchocerca volvulus 0.0114 0 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0786 0.2345
Echinococcus granulosus muscleblind protein 0.018 0.0786 0.2345
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0979 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0175 0.0727 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0175 0.0727 0.5
Brugia malayi Muscleblind-like protein 0.018 0.0786 0.2345
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0175 0.0727 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.7279 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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