Detailed information for compound 776179

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.628 | Formula: C25H43N3O
  • H donors: 1 H acceptors: 1 LogP: 4.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1C1CCN(CC1)C(C)C)Cc1ccc(cc1)CC(C)C
  • InChi: 1S/C25H43N3O/c1-20(2)17-22-5-7-23(8-6-22)18-26-14-15-28(25(19-26)11-16-29)24-9-12-27(13-10-24)21(3)4/h5-8,20-21,24-25,29H,9-19H2,1-4H3
  • InChiKey: ZJXWRTFABUGCHU-UHFFFAOYSA-N  


Substructure search Similarity search

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) MH2 domain-containing protein 0.0119 0.5834 1
Schistosoma mansoni ap endonuclease 0.0021 0.0197 0.0197
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0197 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.2218 0.3801
Echinococcus multilocularis geminin 0.0191 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1191 0.2042
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0197 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.3096 0.5306
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3096 0.3096
Schistosoma mansoni hypothetical protein 0.0191 1 1
Brugia malayi TAR-binding protein 0.0072 0.3096 0.5306
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0197 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0197 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0197 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0197 0.0197
Echinococcus granulosus tar DNA binding protein 0.0072 0.3096 0.3096
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0197 0.5
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3096 0.3096
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.2218 0.3801
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0197 0.5
Loa Loa (eye worm) RNA binding protein 0.0072 0.3096 0.5306
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0197 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.1191 0.1191
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.2218 0.3801
Toxoplasma gondii exonuclease III APE 0.0021 0.0197 0.5
Echinococcus multilocularis tar DNA binding protein 0.0072 0.3096 0.3096
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.5834 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3096 0.3096
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0197 0.0197
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1191 0.2042
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0197 0.5
Schistosoma mansoni ap endonuclease 0.0021 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0056 0.2218 0.3801
Schistosoma mansoni hypothetical protein 0.0191 1 1
Brugia malayi MH2 domain containing protein 0.0119 0.5834 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0197 0.5
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3096 0.3096
Brugia malayi RNA binding protein 0.0072 0.3096 0.5306
Loa Loa (eye worm) TAR-binding protein 0.0072 0.3096 0.5306
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0197 0.0338
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3096 0.3096
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0197 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0197 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.3096 0.5306
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0197 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0197 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0197 0.0338

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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