Detailed information for compound 1639382

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.348 | Formula: C18H18N2O
  • H donors: 0 H acceptors: 1 LogP: 2.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(nc2n1ccc(c2)C(C)(C)C)c1ccccc1
  • InChi: 1S/C18H18N2O/c1-18(2,3)14-9-10-20-16(11-14)19-15(12-17(20)21)13-7-5-4-6-8-13/h4-12H,1-3H3
  • InChiKey: YNTRBXZZLABFIF-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 0.01 0.5618 0.839
Giardia lamblia Methionyl-tRNA synthetase 0.0057 0.269 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0971 0.0971
Trichomonas vaginalis chromobox protein, putative 0.0069 0.3511 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0971 0.0971
Schistosoma mansoni transient receptor potential channel 0.0017 0.00000060783 0.00000060783
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0022 0.0298 0.0298
Leishmania major methionyl-tRNA synthetase, putative 0.0057 0.269 1
Brugia malayi chromobox protein homolog 3 0.0038 0.1449 0.2164
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0971 0.145
Treponema pallidum leucyl-tRNA synthetase 0.0022 0.0298 0.5
Schistosoma mansoni methionine-tRNA synthetase 0.0057 0.269 0.269
Echinococcus granulosus chromobox protein 1 0.0069 0.3511 0.3511
Loa Loa (eye worm) hypothetical protein 0.0017 0.00000060783 0.00000090764
Brugia malayi protein ZK524.3 0.0022 0.0298 0.0444
Onchocerca volvulus 0.0035 0.1213 0.7356
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0444
Echinococcus granulosus methionine tRNA synthetase 0.0057 0.269 0.269
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.5618 0.839
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.00000060783 0.00000060783
Trichomonas vaginalis chromobox protein, putative 0.0069 0.3511 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0444
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.00000060783 0.00000060783
Brugia malayi MH2 domain containing protein 0.0115 0.6697 1
Echinococcus multilocularis methionine tRNA synthetase 0.0057 0.269 0.269
Loa Loa (eye worm) hypothetical protein 0.0038 0.1449 0.2164
Brugia malayi olfactory channel protein osm-9 0.0017 0.00000060783 0.00000090764
Schistosoma mansoni hypothetical protein 0.0031 0.0971 0.0971
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0057 0.269 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.00000060783 0.00000060783
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0057 0.269 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0971 0.0971
Echinococcus multilocularis leucyl tRNA synthetase 0.0022 0.0298 0.0298
Leishmania major leucyl-tRNA synthetase, putative 0.0022 0.0298 0.1106
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1449 0.4129
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.00000060783 0.00000060783
Brugia malayi methionyl-tRNA synthetase 0.0057 0.269 0.4017
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0057 0.269 0.7663
Schistosoma mansoni hypothetical protein 0.0164 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.6697 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0971 0.145
Echinococcus multilocularis geminin 0.0164 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0971 0.145
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.5618 0.839
Toxoplasma gondii tRNA ligases class I (M) protein 0.0022 0.0298 0.1106
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.5618 0.839
Echinococcus multilocularis chromobox protein 1 0.0069 0.3511 0.3511
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0035 0.1213 0.1811
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0057 0.269 1
Echinococcus granulosus chromobox protein 1 0.0069 0.3511 0.3511
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0057 0.269 1
Schistosoma mansoni leucyl-tRNA synthetase 0.0022 0.0298 0.0298
Loa Loa (eye worm) hypothetical protein 0.0022 0.0298 0.0444
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0057 0.269 0.4017
Schistosoma mansoni transient receptor potential channel 0.0017 0.00000060783 0.00000060783
Schistosoma mansoni chromobox protein 0.0069 0.3511 0.3511
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.00000060783 0.00000060783
Schistosoma mansoni chromobox protein 0.0069 0.3511 0.3511
Loa Loa (eye worm) hypothetical protein 0.0017 0.00000060783 0.00000090764
Chlamydia trachomatis leucine--tRNA ligase 0.0022 0.0298 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0971 0.0971
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0057 0.269 1
Chlamydia trachomatis methionine--tRNA ligase 0.0022 0.0298 0.5
Plasmodium falciparum methionine--tRNA ligase 0.0057 0.269 1
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0022 0.0298 0.0298
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1649 0.4697
Echinococcus granulosus GPCR family 2 0.0031 0.0971 0.0971
Brugia malayi methionyl-tRNA synthetase 0.0022 0.0298 0.0444
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.00000060783 0.00000060783
Loa Loa (eye worm) hypothetical protein 0.003 0.0881 0.1316
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.3511 0.5242
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.1449 0.8789
Echinococcus multilocularis chromobox protein 1 0.0069 0.3511 0.3511
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0682 0.1942
Loa Loa (eye worm) hypothetical protein 0.0068 0.3467 0.5178
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1449 0.4129
Schistosoma mansoni hypothetical protein 0.0164 1 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0057 0.269 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0971 0.145
Schistosoma mansoni methionine-tRNA synthetase 0.0022 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.0068 0.3467 0.3467
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1649 0.4697
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0057 0.269 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3467 0.5178
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0682 0.1942
Echinococcus multilocularis GPCR, family 2 0.0031 0.0971 0.0971
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0022 0.0298 0.5
Toxoplasma gondii methionyl-tRNA synthetase 0.0057 0.269 1
Treponema pallidum methionyl-tRNA synthetase 0.0022 0.0298 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.6697 1
Brugia malayi Heterochromatin protein 1 0.0069 0.3511 0.5242
Onchocerca volvulus 0.003 0.0881 0.5345
Loa Loa (eye worm) hypothetical protein 0.0017 0.00000060783 0.00000090764
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1649 1
Schistosoma mansoni hypothetical protein 0.0031 0.0971 0.0971
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0971 0.0971
Schistosoma mansoni hypothetical protein 0.0031 0.0971 0.0971

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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