Detailed information for compound 795168

Basic information

Technical information
  • TDR Targets ID: 795168
  • Name: N-(2,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H- cyclohepta[d][1,2]oxazole-3-carboxamide
  • MW: 325.19 | Formula: C15H14Cl2N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)NC(=O)c1noc2c1CCCCC2)Cl
  • InChi: 1S/C15H14Cl2N2O2/c16-9-6-7-11(17)12(8-9)18-15(20)14-10-4-2-1-3-5-13(10)21-19-14/h6-8H,1-5H2,(H,18,20)
  • InChiKey: KOEPUVBPGYPDAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide

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) cytochrome P450 family protein 0.0054 0.0032 0.0032
Echinococcus granulosus glutamate receptor 2 0.0053 0.0021 0.0126
Mycobacterium leprae Probable imidazole glycerol-phosphate dehydratase HisB 0.0602 0.4712 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0065 0.0121 0.0734
Brugia malayi Glutamate receptor 2 precursor 0.0065 0.0121 0.0124
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0077 0.0226 0.1373
Brugia malayi Cytochrome P450 family protein 0.0054 0.0032 0.0032
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.008 0.0488
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0077 0.0226 0.1373
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0077 0.0226 0.1373
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0243 0.1647 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0077 0.0226 0.1373
Plasmodium vivax phosphatase, putative 0.0051 0 0.5
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0121 0.0734
Echinococcus granulosus glutamate receptor 2 0.0077 0.0226 0.1373
Loa Loa (eye worm) glutamate receptor 2 0.0065 0.0121 0.0124
Brugia malayi Glutamate receptor 1 precursor 0.0065 0.0121 0.0124
Schistosoma mansoni glutamate receptor NMDA 0.0243 0.1647 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0077 0.0226 0.1373
Plasmodium falciparum bifunctional polynucleotide phosphatase/kinase 0.0051 0 0.5
Plasmodium falciparum phosphatase, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0608 0.4768 0.4893
Plasmodium vivax bifunctional polynucleotide phosphatase/kinase, putative 0.0051 0 0.5
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0121 0.0734
Loa Loa (eye worm) glutamate receptor 1 0.0065 0.0121 0.0124
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.008 0.0488
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.008 0.0488
Echinococcus multilocularis glutamate receptor 2 0.0053 0.0021 0.0126
Schistosoma mansoni ATP-binding cassette transporter 0.0065 0.0121 0.0734
Echinococcus multilocularis glutamate receptor 2 0.0077 0.0226 0.1373
Schistosoma mansoni glutamate receptor AMPA 0.0065 0.0121 0.0734
Leishmania major C-8 sterol isomerase-like protein 0.119 0.9744 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0077 0.0226 0.1373
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0077 0.0226 0.1373
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0077 0.0226 0.1373
Echinococcus granulosus glutamate NMDA receptor subunit 0.0243 0.1647 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.008 0.5
Onchocerca volvulus Bifunctional polynucleotide phosphatase\/kinase homolog 0.0051 0 0.5
Schistosoma mansoni glutamate receptor kainate 0.0065 0.0121 0.0734
Mycobacterium ulcerans imidazoleglycerol-phosphate dehydratase 0.122 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.119 0.9744 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.008 0.0488
Brugia malayi ERG2 and Sigma1 receptor like protein 0.119 0.9744 1
Schistosoma mansoni glutamate receptor NMDA 0.0077 0.0226 0.1373
Entamoeba histolytica polynucleotide kinase-3-phosphatase, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.119 0.9744 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.119 0.9744 1
Echinococcus multilocularis glutamate receptor 2 0.0065 0.0121 0.0734

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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