Detailed information for compound 795231

Basic information

Technical information
  • TDR Targets ID: 795231
  • Name: N-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahyd ro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
  • MW: 320.771 | Formula: C16H17ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1noc2c1CCCCC2)Cl
  • InChi: 1S/C16H17ClN2O3/c1-21-14-8-7-10(17)9-12(14)18-16(20)15-11-5-3-2-4-6-13(11)22-19-15/h7-9H,2-6H2,1H3,(H,18,20)
  • InChiKey: IZCYZMRZFGUUKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
  • N-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
  • N-(5-chloro-2-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-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) hypothetical protein 0.004 0.095 0.0554
Entamoeba histolytica hypothetical protein 0.004 0.0948 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0628 0.004
Loa Loa (eye worm) hypothetical protein 0.004 0.095 0.0554
Loa Loa (eye worm) hypothetical protein 0.004 0.095 0.0554
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.2709 0.3952
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.095 0.0517
Brugia malayi beta-lactamase 0.004 0.095 0.0517
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0062 0.1883 0.1581
Onchocerca volvulus 0.004 0.095 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.095 0.0517
Brugia malayi Melibiase family protein 0.0081 0.2709 0.3342
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0628 0.004
Loa Loa (eye worm) hypothetical protein 0.0081 0.2709 0.3368
Loa Loa (eye worm) hypothetical protein 0.004 0.095 0.0554
Toxoplasma gondii hypothetical protein 0.0062 0.1883 0.2747
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0118 0.4242 0.3638
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0179 0.6855 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0948 0.0515
Toxoplasma gondii melibiase subfamily protein 0.0122 0.4427 0.6458
Entamoeba histolytica hypothetical protein 0.004 0.0948 0.5
Brugia malayi beta-lactamase family protein 0.004 0.095 0.0517
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.095 0.0554
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0122 0.4427 0.6458
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0122 0.4427 0.6458
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0122 0.4427 0.6458
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 1
Loa Loa (eye worm) hypothetical protein 0.004 0.095 0.0554
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0081 0.2709 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0122 0.4427 0.6458
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.095 0.0517
Schistosoma mansoni lamin 0.0032 0.0628 0.0916
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0081 0.2709 0.3952
Echinococcus multilocularis peptidase Clp (S14 family) 0.0118 0.4242 0.5804
Loa Loa (eye worm) beta-lactamase 0.004 0.095 0.0554
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0179 0.6855 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0179 0.6855 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0118 0.4242 0.5575
Onchocerca volvulus 0.004 0.095 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0179 0.6855 1
Onchocerca volvulus 0.004 0.095 1
Leishmania major hypothetical protein, conserved 0.004 0.095 0.5
Schistosoma mansoni intermediate filament proteins 0.0032 0.0628 0.0916
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.095 0.1385
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0628 0.004
Toxoplasma gondii ABC1 family protein 0.004 0.095 0.1385
Entamoeba histolytica hypothetical protein 0.004 0.0948 0.5
Trypanosoma brucei hypothetical protein, conserved 0.004 0.095 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0179 0.6855 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.6855 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0179 0.6855 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.095 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.095 0.5
Schistosoma mansoni hypothetical protein 0.004 0.0948 0.1383
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0948 0.0515
Schistosoma mansoni lamin 0.0032 0.0628 0.0916
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0118 0.4242 0.3638
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.095 0.1385
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 1
Loa Loa (eye worm) hypothetical protein 0.004 0.095 0.0554
Brugia malayi beta-lactamase family protein 0.004 0.095 0.0517
Brugia malayi hypothetical protein 0.004 0.0948 0.0515
Echinococcus granulosus peptidase Clp S14 family 0.0118 0.4242 0.5804
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0062 0.1883 0.1581
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0179 0.6855 1
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0122 0.4427 0.6101
Entamoeba histolytica hypothetical protein 0.004 0.0948 0.5
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0122 0.4427 0.6101
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0122 0.4427 0.6101
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0948 0.1383
Brugia malayi Probable ClpP-like protease 0.0179 0.6855 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0179 0.6855 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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