Detailed information for compound 1209356

Basic information

Technical information
  • TDR Targets ID: 1209356
  • Name: 2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)- 5-[(2-methoxyphenyl)methylidene]cyclopentan-1 -one
  • MW: 339.471 | Formula: C22H29NO2
  • H donors: 0 H acceptors: 1 LogP: 3.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/1\CCC(C1=O)(CCN(C)C)C1=CCCC1
  • InChi: 1S/C22H29NO2/c1-23(2)15-14-22(19-9-5-6-10-19)13-12-18(21(22)24)16-17-8-4-7-11-20(17)25-3/h4,7-9,11,16H,5-6,10,12-15H2,1-3H3/b18-16+
  • InChiKey: REIOOEVRINTDEX-FBMGVBCBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5E)-2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one
  • (5E)-2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-[(2-methoxyphenyl)methylene]cyclopentan-1-one
  • 2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-[(2-methoxyphenyl)methylene]cyclopentan-1-one
  • (5E)-2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-[(2-methoxyphenyl)methylene]-1-cyclopentanone
  • 2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-[(2-methoxyphenyl)methylene]-1-cyclopentanone
  • (5E)-2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-(2-methoxybenzylidene)cyclopentan-1-one
  • 2-(1-cyclopentenyl)-2-(2-dimethylaminoethyl)-5-(2-methoxybenzylidene)cyclopentan-1-one
  • NCI60_013139

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) intermediate filament tail domain-containing protein 0.0027 1 1
Echinococcus multilocularis lamin 0.0027 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.516 0.516
Loa Loa (eye worm) hypothetical protein 0.0027 0.9707 0.9707
Loa Loa (eye worm) intermediate filament protein 0.0027 1 1
Schistosoma mansoni lamin 0.0027 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.1432 0.1432
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.516 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.516 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.516 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.1432 0.1432
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.516 0.5
Echinococcus granulosus lamin 0.0027 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.516 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.516 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.516 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.516 0.5
Echinococcus granulosus lamin dm0 0.0027 1 1
Onchocerca volvulus 0.0027 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.516 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.2574 0.2574
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.516 0.516
Loa Loa (eye worm) hypothetical protein 0.0013 0.1725 0.1725
Loa Loa (eye worm) hypothetical protein 0.0027 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.516 0.5
Schistosoma mansoni lamin 0.0027 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.516 0.516
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.516 0.516
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.516 0.516
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.516 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.516 0.5
Onchocerca volvulus 0.0027 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.2574 0.2574
Schistosoma mansoni intermediate filament proteins 0.0027 1 1
Echinococcus granulosus intermediate filament protein 0.0027 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.516 0.516
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.516 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.1725 0.1725
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.516 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.1725 0.1725
Echinococcus multilocularis musashi 0.0027 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.516 0.5
Echinococcus multilocularis lamin dm0 0.0027 1 1

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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