Detailed information for compound 1052520

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.342 | Formula: C16H20N2O2
  • H donors: 0 H acceptors: 1 LogP: 2.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1occ(n1)CN1CCCC1C
  • InChi: 1S/C16H20N2O2/c1-12-4-3-9-18(12)10-14-11-20-16(17-14)13-5-7-15(19-2)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3
  • InChiKey: OQDZMPLIGUEIGY-UHFFFAOYSA-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) hypothetical protein 0.0051 0.023 0.0529
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0094 0.0794 0.1826
Brugia malayi metabotropic glutamate receptor type 2 0.0142 0.1423 0.3271
Echinococcus granulosus metabotropic glutamate receptor 5 0.0359 0.4263 0.9801
Onchocerca volvulus 0.0051 0.023 1
Brugia malayi Receptor family ligand binding region containing protein 0.0075 0.054 0.1242
Brugia malayi hypothetical protein 0.0051 0.023 0.0529
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0047 0.0181 0.0417
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0036 0.0032 0.0075
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0075 0.054 0.1242
Echinococcus granulosus dual specificity 0.0094 0.0794 0.1779
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0244 0.276 0.2743
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0051 0.0233 0.0536
Entamoeba histolytica protein kinase domain containing protein 0.0094 0.0794 1
Loa Loa (eye worm) glutamate receptor 0.0115 0.1064 0.2446
Schistosoma mansoni hypothetical protein 0.0047 0.0181 0.0417
Echinococcus granulosus GPCR family 3 C terminal 0.0047 0.0181 0.0362
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0036 0.0032 0.0075
Echinococcus multilocularis GPCR, family 3, C terminal 0.0047 0.0181 0.0157
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0264 0.3021 0.6947
Schistosoma mansoni serine/threonine protein kinase 0.0366 0.4349 1
Brugia malayi hypothetical protein 0.0036 0.0032 0.0075
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0794 0.1826
Brugia malayi map kinase activated protein kinase protein 2 0.0366 0.4349 1
Schistosoma mansoni hypothetical protein 0.0165 0.1714 0.3941
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0203 0.0467
Loa Loa (eye worm) hypothetical protein 0.0093 0.0775 0.1783
Brugia malayi hypothetical protein 0.0036 0.0029 0.0067
Onchocerca volvulus Poor gastrulation protein homolog 0.0047 0.0181 0.7534
Schistosoma mansoni hypothetical protein 0.0035 0.0024 0.0056
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0067
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0036 0.0032 0.0075
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0366 0.4349 0.4335
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0203 0.0467
Loa Loa (eye worm) glutamate receptor 0.0292 0.338 0.7773
Schistosoma mansoni hypothetical protein 0.0165 0.1714 0.3941
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0067
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0366 0.4349 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0359 0.4263 0.4249
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0047 0.0181 0.7534
Schistosoma mansoni metabotropic glutamate receptor 0.0244 0.276 0.6347
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0067
Entamoeba histolytica hypothetical protein 0.0094 0.0794 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0203 0.0467
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0094 0.0794 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0024 0.0056
Brugia malayi Protein kinase domain containing protein 0.0094 0.0794 0.1826
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0036 0.0029 0.0067
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0094 0.0794 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0775 0.1783
Loa Loa (eye worm) hypothetical protein 0.0075 0.054 0.1242
Echinococcus granulosus aryl hydrocarbon receptor 0.0051 0.0233 0.0483
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.0794 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.0794 0.5
Echinococcus multilocularis aryl hydrocarbon receptor 0.0051 0.0233 0.0209
Schistosoma mansoni metabotropic glutamate receptor 0.0142 0.1423 0.3271
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0036 0.0032 0.0075
Echinococcus multilocularis geminin 0.0165 0.1714 0.1694
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0075 0.054 0.1242
Entamoeba histolytica protein kinase, putative 0.0094 0.0794 1
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0366 0.4349 1
Entamoeba histolytica protein kinase, putative 0.0094 0.0794 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0292 0.338 0.7773
Echinococcus granulosus metabotropic glutamate receptor 2 0.0244 0.276 0.6327
Loa Loa (eye worm) hypothetical protein 0.0049 0.0203 0.0467
Echinococcus multilocularis dual specificity 0.0094 0.0794 0.0771
Echinococcus granulosus geminin 0.0165 0.1714 0.3907
Brugia malayi hypothetical protein 0.0035 0.0024 0.0056
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0067
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0332 0.3904 0.8976
Loa Loa (eye worm) hypothetical protein 0.0359 0.4263 0.9802
Loa Loa (eye worm) hypothetical protein 0.0047 0.0181 0.0417

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 13 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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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