Detailed information for compound 729329

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.531 | Formula: C22H34N4O2
  • H donors: 1 H acceptors: 2 LogP: 2.15 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1Cc1ccccc1OCC)Cc1cnn(c1)C(C)C
  • InChi: 1S/C22H34N4O2/c1-4-28-22-8-6-5-7-20(22)16-25-11-10-24(17-21(25)9-12-27)14-19-13-23-26(15-19)18(2)3/h5-8,13,15,18,21,27H,4,9-12,14,16-17H2,1-3H3
  • InChiKey: ZKHCSQOVJPXPRV-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) RNA recognition domain-containing protein domain-containing protein 0.0128 0.2857 0.106
Schistosoma mansoni transcription factor LCR-F1 0.0114 0.2135 0.7473
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2857 1
Echinococcus granulosus survival motor neuron protein 1 0.0255 0.9432 1
Loa Loa (eye worm) transcription factor SMAD2 0.0266 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0163 0.4684 0.3347
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2857 1
Plasmodium vivax ataxin-2 like protein, putative 0.0162 0.4635 0.5
Brugia malayi hypothetical protein 0.0162 0.4635 0.357
Entamoeba histolytica hypothetical protein 0.0114 0.2135 0.5
Brugia malayi RNA binding protein 0.0128 0.2857 0.1439
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.8622 0.5
Entamoeba histolytica hypothetical protein 0.0114 0.2135 0.5
Loa Loa (eye worm) hypothetical protein 0.0162 0.4635 0.3285
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.2857 0.1439
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0114 0.2135 0.2263
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2857 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2857 1
Schistosoma mansoni hypothetical protein 0.0114 0.2135 0.7473
Loa Loa (eye worm) hypothetical protein 0.0255 0.9432 0.9289
Loa Loa (eye worm) MH2 domain-containing protein 0.0266 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0162 0.4635 0.5
Loa Loa (eye worm) hypothetical protein 0.0163 0.4684 0.3347
Leishmania major hypothetical protein, conserved 0.0162 0.4635 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2857 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.2857 0.3029
Brugia malayi hypothetical protein 0.0255 0.9432 0.9319
Loa Loa (eye worm) RNA binding protein 0.0128 0.2857 0.106
Entamoeba histolytica hypothetical protein 0.0114 0.2135 0.5
Schistosoma mansoni hypothetical protein 0.0112 0.2009 0.7034
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0163 0.4684 0.3629
Brugia malayi hypothetical protein 0.0114 0.2135 0.0574
Trypanosoma cruzi PAB1-binding protein , putative 0.0162 0.4635 0.5
Echinococcus granulosus tar DNA binding protein 0.0128 0.2857 0.3029
Plasmodium falciparum ataxin-2 like protein, putative 0.0162 0.4635 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0162 0.4635 0.5
Brugia malayi TAR-binding protein 0.0128 0.2857 0.1439
Trypanosoma brucei PAB1-binding protein , putative 0.0162 0.4635 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0112 0.2009 0.0423
Toxoplasma gondii LsmAD domain-containing protein 0.0162 0.4635 0.5
Entamoeba histolytica hypothetical protein 0.0114 0.2135 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0255 0.9432 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0114 0.2135 0.2263
Loa Loa (eye worm) TAR-binding protein 0.0128 0.2857 0.106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0163 0.4684 0.3629

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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