Detailed information for compound 2069225

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.385 | Formula: C16H22N6O
  • H donors: 0 H acceptors: 4 LogP: 1.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1CCCN(C1)c1cccnn1)Cc1onc(n1)C1CC1
  • InChi: 1S/C16H22N6O/c1-21(11-15-18-16(20-23-15)12-6-7-12)13-4-3-9-22(10-13)14-5-2-8-17-19-14/h2,5,8,12-13H,3-4,6-7,9-11H2,1H3
  • InChiKey: RHSQUWBLESDJBJ-UHFFFAOYSA-N  

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
Entamoeba histolytica MIR domain protein 0.0009 0.0702 0.5
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0057 0.6417 0.6417
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0048 0.5355 1
Echinococcus multilocularis ryanodine receptor 44f 0.0031 0.3401 0.7445
Loa Loa (eye worm) hypothetical protein 0.0054 0.6115 0.9793
Loa Loa (eye worm) hypothetical protein 0.0055 0.624 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0237 0.0056
Schistosoma mansoni inositol 145-trisphosphate receptor 0.007 0.8069 1
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0005 0.0237 0.0237
Echinococcus multilocularis ryanodine receptor 44f 0.0041 0.4486 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.4486 0.7095
Plasmodium vivax phospholipase C-like, putative 0.0005 0.0203 0.5
Brugia malayi Variant SH3 domain containing protein 0.0034 0.3752 0.3752
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0034 0.3752 0.588
Loa Loa (eye worm) MIR domain-containing protein 0.0009 0.0702 0.0827
Schistosoma mansoni ryanodine receptor related 0.0057 0.6417 0.7952
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0005 0.0203 0.0203
Toxoplasma gondii phosphoinositide phospholipase PIPLC 0.0005 0.0237 0.5
Brugia malayi MIR domain containing protein 0.0009 0.0702 0.0702
Schistosoma mansoni stromal cell-derived factor 2 precursor-like protein 0.0009 0.0702 0.087
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0048 0.5355 1
Schistosoma mansoni phospholipase C beta 0.0005 0.0203 0.0252
Echinococcus granulosus stromal cell derived factor 2 0.0009 0.0702 0.1095
Echinococcus granulosus ryanodine receptor 44f 0.0041 0.4486 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0237 0.0056
Trichomonas vaginalis mannosyltransferase 1, putative 0.0009 0.0702 0.5
Leishmania major hypothetical protein, conserved 0.0032 0.3525 1
Onchocerca volvulus 0.0009 0.0702 1
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0005 0.0237 0.0056
Schistosoma mansoni ryanodine receptor 1 skeletal muscle 0.0015 0.147 0.1822
Loa Loa (eye worm) ryanodine receptor 0.0015 0.147 0.2099
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0046 0.5154 0.6387
Echinococcus granulosus ryanodine receptor 44f 0.0031 0.3401 0.7445
Plasmodium falciparum phosphoinositide-specific phospholipase C 0.0005 0.0203 0.5
Echinococcus multilocularis stromal cell derived factor 2 0.0009 0.0702 0.1095
Leishmania major phospholipase c-like protein 0.0005 0.0237 0.0102
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0005 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0046 0.5154 0.8202

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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