Detailed information for compound 883679

Basic information

Technical information
  • TDR Targets ID: 883679
  • Name: 1-(2-cyanoethyl)-1-methyl-3-[2-(phenoxy)pheny l]urea
  • MW: 295.336 | Formula: C17H17N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(C(=O)Nc1ccccc1Oc1ccccc1)C
  • InChi: 1S/C17H17N3O2/c1-20(13-7-12-18)17(21)19-15-10-5-6-11-16(15)22-14-8-3-2-4-9-14/h2-6,8-11H,7,13H2,1H3,(H,19,21)
  • InChiKey: IRDGLLFAVCHSOZ-UHFFFAOYSA-N  

Network

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Synonyms

  • Oprea1_156527

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 bHLH-PAS transcription factor 0.0074 0.0206 0.0947
Loa Loa (eye worm) hypothetical protein 0.0336 0.1791 0.8232
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0163 0.0745 0.5
Schistosoma mansoni single-minded 0.01 0.0364 0.1671
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0399 0.2176 1
Mycobacterium ulcerans proteasome PrcA 0.169 1 1
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0163 0.0745 0.3421
Brugia malayi hypoxia-induced factor 1 0.031 0.1634 0.7508
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0163 0.0745 0.5
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0149 0.0659 0.0659
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0163 0.0745 0.3421
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0399 0.2176 1
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0163 0.0745 0.5
Onchocerca volvulus 0.0074 0.0206 0.7193
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0163 0.0745 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0399 0.2176 1
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0163 0.0745 1
Brugia malayi hypothetical protein 0.0336 0.1791 0.8232
Schistosoma mansoni aryl hydrocarbon receptor 0.01 0.0364 0.1671
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0163 0.0745 0.5
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0163 0.0745 0.5
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0163 0.0745 0.0745
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0163 0.0745 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.031 0.1634 0.7508
Brugia malayi PAS domain containing protein 0.01 0.0364 0.1671
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0163 0.0745 0.0745
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0163 0.0745 0.2733
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0163 0.0745 0.3421
Schistosoma mansoni hypothetical protein 0.0149 0.0659 0.3027
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0399 0.2176 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.169 1 1
Mycobacterium ulcerans putative regulatory protein 0.0074 0.0206 0.0206
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0087 0.0286 1
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0149 0.0659 0.0659
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0399 0.2176 1
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0163 0.0745 0.2733
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0149 0.0659 0.2297

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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