Detailed information for compound 911809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.406 | Formula: C16H28N2O2
  • H donors: 1 H acceptors: 1 LogP: 2.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1C(C)C)Cc1ccc(o1)CC
  • InChi: 1S/C16H28N2O2/c1-4-15-5-6-16(20-15)12-17-8-9-18(13(2)3)14(11-17)7-10-19/h5-6,13-14,19H,4,7-12H2,1-3H3
  • InChiKey: BUKXPGJHLHRKSG-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
Trypanosoma brucei nucleoside diphosphatase, putative 0.003 0.0615 0.89
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0323 1 1
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0047 0.1159 0.0579
Trypanosoma cruzi adenylate kinase, putative 0.0033 0.0691 1
Echinococcus granulosus low density lipoprotein receptor ldl 0.0047 0.1159 0.1159
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.003 0.0615 0.89
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.003 0.0615 0.89
Trypanosoma brucei nucleoside phosphatase, putative 0.003 0.0615 0.89
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0047 0.1159 1
Plasmodium falciparum apyrase, putative 0.0323 1 1
Schistosoma mansoni adenylate kinase 0.0069 0.1866 0.1333
Plasmodium vivax adenylate kinase 2, putative 0.0033 0.0691 1
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0323 1 1
Trypanosoma cruzi adenylate kinase, putative 0.0033 0.0691 1
Trypanosoma cruzi nucleoside phosphatase, putative 0.003 0.0615 0.89
Loa Loa (eye worm) hypothetical protein 0.0047 0.1159 1
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0047 0.1159 0.1159
Trypanosoma cruzi adenylate kinase 2 0.0023 0.0381 0.5511
Onchocerca volvulus 0.0047 0.1159 1
Toxoplasma gondii Nucleoside-diphosphatase 0.003 0.0615 0.89
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.003 0.0615 0.0615
Trypanosoma brucei adenylate kinase, putative 0.0023 0.0381 0.5511
Trypanosoma cruzi adenylate kinase, putative 0.0023 0.0381 0.5511
Onchocerca volvulus Netrin receptor homolog 0.0047 0.1159 1
Onchocerca volvulus 0.0047 0.1159 1
Leishmania major ATP diphosphohydrolase 0.003 0.0615 0.89
Echinococcus multilocularis hemicentin 1 0.0047 0.1159 0.1159
Schistosoma mansoni hypothetical protein 0.0047 0.1159 0.0579
Treponema pallidum adenylate kinase (adk) 0.0033 0.0691 0.5
Brugia malayi hypothetical protein 0.0047 0.1159 1
Toxoplasma gondii NTPase II 0.003 0.0615 0.89
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0033 0.0691 0.0691
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.003 0.0615 0.0615
Entamoeba histolytica adenylate kinase 0.0011 0 0.5
Schistosoma mansoni adenylate kinase 0.0033 0.0691 0.0081
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0323 1 1
Onchocerca volvulus Putative titin 0.0047 0.1159 1
Schistosoma mansoni adenylate kinase 0.0033 0.0691 0.0081
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.003 0.0615 0.0615
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0033 0.0691 1
Plasmodium falciparum adenylate kinase 0.0033 0.0691 0.0081
Loa Loa (eye worm) hypothetical protein 0.003 0.0615 0.5311
Mycobacterium leprae PROBABLE ADENYLATE KINASE KAD (ATP-AMP TRANSPHOSPHORYLASE) 0.0011 0 0.5
Schistosoma mansoni titin 0.0047 0.1159 0.0579
Onchocerca volvulus 0.0047 0.1159 1
Wolbachia endosymbiont of Brugia malayi adenylate kinase 0.0011 0 0.5
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0323 1 1
Leishmania major adenylate kinase, putative 0.0033 0.0691 1
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.003 0.0615 0.89
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0033 0.0691 0.0691
Brugia malayi Nucleoside-diphosphatase mig-23 0.003 0.0615 0.5311
Leishmania major adenylate kinase, putative 0.0023 0.0381 0.5511
Echinococcus granulosus hemicentin 1 0.0047 0.1159 0.1159
Onchocerca volvulus Tyrosine kinase homolog 0.0047 0.1159 1
Echinococcus granulosus contactin 0.0047 0.1159 0.1159
Trypanosoma brucei adenylate kinase, putative 0.0033 0.0691 1
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.003 0.0615 0.89
Leishmania major adenylate kinase 2 0.0023 0.0381 0.5511
Mycobacterium ulcerans adenylate kinase 0.0011 0 0.5
Giardia lamblia Adenylate kinase 0.0011 0 0.5
Trypanosoma cruzi nucleoside phosphatase, putative 0.003 0.0615 0.89
Toxoplasma gondii adenylate kinase, putative 0.0033 0.0691 1
Chlamydia trachomatis adenylate kinase 0.0011 0 0.5
Onchocerca volvulus 0.0047 0.1159 1
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0033 0.0691 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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