Detailed information for compound 36645

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 190.242 | Formula: C11H14N2O
  • H donors: 1 H acceptors: 1 LogP: 1.98 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCCN(N1)c1ccccc1
  • InChi: 1S/C11H14N2O/c14-11-8-4-5-9-13(12-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
  • InChiKey: LAIXBXAKVZOTOA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Brugia malayi RE18450p 0.0216 0.0115 1
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0216 0.0115 0.5
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0216 0.0115 0.5
Chlamydia trachomatis D-amino acid dehydrogenase 0.0216 0.0115 0.5
Mycobacterium ulcerans D-amino acid oxidase Aao 0.2591 1 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0216 0.0115 0.5
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.2375 0.9101 1
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0216 0.0115 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0216 0.0115 0.5
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0216 0.0115 0.5
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0216 0.0115 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0216 0.0115 0.5
Schistosoma mansoni d-amino acid oxidase 0.2591 1 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0216 0.0115 0.5
Toxoplasma gondii hypothetical protein 0.0216 0.0115 0.5
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0216 0.0115 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0216 0.0115 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.0115 0.0115
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0216 0.0115 0.5
Brugia malayi cDNA sequence BC016226 0.0216 0.0115 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0216 0.0115 0.5
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0216 0.0115 0.5
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0216 0.0115 0.5
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0216 0.0115 1
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0216 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0216 0.0115 0.0115
Onchocerca volvulus Putative fad oxidoreductase 0.0216 0.0115 0.5
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0216 0.0115 0.5
Leishmania major hypothetical protein, conserved 0.0216 0.0115 0.5
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0216 0.0115 0.5
Leishmania major hypothetical protein, conserved 0.0216 0.0115 0.5
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0216 0.0115 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.0115 0.0115
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0216 0.0115 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0216 0.0115 0.5
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0216 0.0115 0.5
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0216 0.0115 0.5
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0216 0.0115 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0216 0.0115 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0216 0.0115 0.5
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0216 0.0115 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.2591 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) NA 0 Inhibitory Activity of the compound against 5-Lipoxygenase was determined; IA=Inactive at concentrations less than 32 microM 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.