Detailed information for compound 1176691

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.629 | Formula: C22H47N3
  • H donors: 2 H acceptors: 0 LogP: 6.66 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCNC1CCN(CC1)CCN
  • InChi: 1S/C22H47N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-22-15-19-25(20-16-22)21-17-23/h22,24H,2-21,23H2,1H3
  • InChiKey: BUGITICATHPZBS-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
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1043 0.1197
Echinococcus multilocularis chromobox protein 1 0.0078 0.1592 0.2471
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0538 0.231
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0377 0.0235
Schistosoma mansoni hypothetical protein 0.0048 0.0663 0.0754
Loa Loa (eye worm) hypothetical protein 0.0034 0.0248 0.0288
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.453 0.7073
Brugia malayi Heterochromatin protein 1 0.0078 0.1592 0.1836
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0377 0.0235
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0377 0.0235
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0173 0.453 0.5263
Onchocerca volvulus 0.0034 0.0248 0.1027
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0538 0.0398
Brugia malayi MH2 domain containing protein 0.0143 0.3608 0.4182
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1043 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0377 0.0235
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0377 0.0439
Trichomonas vaginalis glutaminase, putative 0.0305 0.8606 0.8585
Trypanosoma brucei glucosidase, putative 0.0038 0.0377 0.5
Loa Loa (eye worm) glutaminase 0.0305 0.8606 1
Schistosoma mansoni alpha glucosidase 0.0038 0.0377 0.0422
Brugia malayi Glycosyl hydrolases family 31 protein 0.0173 0.453 0.5255
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0377 0.0235
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1043 0.1611
Loa Loa (eye worm) hypothetical protein 0.0027 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.0233 0.6398 0.7434
Schistosoma mansoni chromobox protein 0.0078 0.1592 0.1836
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0015 0.0017
Loa Loa (eye worm) MH2 domain-containing protein 0.0143 0.3608 0.4192
Schistosoma mansoni alpha-glucosidase 0.0149 0.3787 0.439
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0377 0.0422
Onchocerca volvulus 0.01 0.228 1
Trichomonas vaginalis chromobox protein, putative 0.0047 0.064 0.0502
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0015 0.0017
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0663 0.0754
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.6398 1
Brugia malayi chromobox protein homolog 3 0.0044 0.0538 0.0609
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0171 0.4472 0.4534
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.064 0.2761
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0377 0.0235
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0538 0.0398
Echinococcus multilocularis lysosomal alpha glucosidase 0.0173 0.453 0.7073
Schistosoma mansoni alpha-glucosidase 0.0149 0.3787 0.439
Trichomonas vaginalis chromobox protein, putative 0.0078 0.1592 0.1468
Loa Loa (eye worm) transcription factor SMAD2 0.0143 0.3608 0.4192
Loa Loa (eye worm) glutaminase 2 0.0305 0.8606 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0377 0.0235
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0377 0.0235
Brugia malayi hypothetical protein 0.0233 0.6398 0.743
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.1592 0.185
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0377 0.5
Schistosoma mansoni survival motor neuron protein 0.0048 0.0663 0.0754
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.6398 1
Echinococcus multilocularis chromobox protein 1 0.0078 0.1592 0.2471
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0377 0.0568
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0171 0.4472 0.5
Echinococcus granulosus chromobox protein 1 0.0078 0.1592 0.2471
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1043 0.1611
Mycobacterium ulcerans glutaminase 0.0305 0.8606 1
Trichomonas vaginalis chromobox protein, putative 0.0078 0.1592 0.1468
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0377 0.0235
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0377 0.0568
Loa Loa (eye worm) hypothetical protein 0.0044 0.0538 0.0625
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0171 0.4472 1
Onchocerca volvulus 0.0048 0.0663 0.2861
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1043 0.1197
Trichomonas vaginalis chromobox protein, putative 0.0047 0.064 0.0502
Schistosoma mansoni chromobox protein 0.0078 0.1592 0.1836
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1043 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0377 0.5
Brugia malayi glutaminase DH11.1 0.0305 0.8606 1
Schistosoma mansoni glutaminase 0.0305 0.8606 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0173 0.453 0.7073
Echinococcus granulosus chromobox protein 1 0.0078 0.1592 0.2471

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Activation of human Gi protein alpha1 subunit expressed in Escherichia coli assessed as protein bound [35S]GTPgammaS levels by scintillation spectroscopy ChEMBL. 19289280

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

1 literature reference was collected for this gene.

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