Detailed information for compound 1022015

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.242 | Formula: C17H30Br2N2
  • H donors: 2 H acceptors: 0 LogP: 4.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCCNC1(CCCCC1)c1ccccc1.Br.Br
  • InChi: 1S/C17H28N2.2BrH/c18-14-8-3-9-15-19-17(12-6-2-7-13-17)16-10-4-1-5-11-16;;/h1,4-5,10-11,19H,2-3,6-9,12-15,18H2;2*1H
  • InChiKey: ZCYUSVRXEKAQSL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Plasmodium vivax importin-beta 2, putative 0.0033 0.0192 1
Brugia malayi RNA, U transporter 1 0.0094 0.2061 0.6925
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0036 0.0289 0.321
Schistosoma mansoni hypothetical protein 0.0036 0.0289 0.0099
Loa Loa (eye worm) hypothetical protein 0.0033 0.0192 0.0128
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2779 0.2638
Toxoplasma gondii cytochrome p450 superfamily protein 0.0036 0.0289 0.0827
Loa Loa (eye worm) CYP4Cod1 0.0056 0.0899 0.084
Brugia malayi Cytochrome P450 family protein 0.0123 0.2947 1
Leishmania major cytochrome p450-like protein 0.0036 0.0289 0.2266
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.1273 0.4454
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0192 0.047
Schistosoma mansoni hypothetical protein 0.0353 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1273 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0056 0.0899 0.6198
Echinococcus granulosus cytochrome P450 2K1 0.0036 0.0289 0.0099
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2779 0.2638
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0036 0.0289 0.2688
Loa Loa (eye worm) cytochrome P450 family protein 0.0123 0.2947 0.2902
Entamoeba histolytica hypothetical protein 0.0027 0 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.1579 0.1415
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0036 0.0289 0.2266
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1273 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1273 1
Leishmania major cytochrome p450-like protein 0.0056 0.0899 0.7059
Brugia malayi cytochrome P450 0.0036 0.0289 0.0778
Echinococcus multilocularis 0.0036 0.0289 0.0099
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1273 0.1103
Toxoplasma gondii melibiase subfamily protein 0.0118 0.2779 1
Schistosoma mansoni cytochrome P450 0.0036 0.0289 0.0099
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1273 0.1103
Trypanosoma cruzi cytochrome P450, putative 0.0056 0.0899 1
Trypanosoma cruzi cytochrome P450, putative 0.0056 0.0899 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0036 0.0289 0.321
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0192 0.1528
Leishmania major hypothetical protein, conserved 0.0029 0.0064 0.0504
Brugia malayi Melibiase family protein 0.0078 0.1579 0.5255
Mycobacterium leprae putative cytochrome p450 0.0036 0.0289 0.5
Brugia malayi Cytochrome P450 family protein 0.0056 0.0899 0.2896
Brugia malayi Cytochrome P450 family protein 0.0056 0.0899 0.2896
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0118 0.2779 0.2638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.1273 0.1103
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2779 0.2638
Plasmodium falciparum importin beta, putative 0.0033 0.0192 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0899 0.084
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1273 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2779 0.2638
Trypanosoma brucei cytochrome P450, putative 0.0056 0.0899 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0064 0.0714
Brugia malayi Importin beta-1 subunit 0.0033 0.0192 0.0442
Leishmania major cytochrome p450-like protein 0.0036 0.0289 0.2266
Echinococcus multilocularis snurportin 1 0.0353 1 1
Loa Loa (eye worm) cytochrome P450 0.0036 0.0289 0.0226
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0036 0.0289 0.321
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0118 0.2779 0.2638
Loa Loa (eye worm) hypothetical protein 0.0078 0.1579 0.1525
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0118 0.2779 0.2638
Brugia malayi Cytochrome P450 family protein 0.0036 0.0289 0.0778
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0036 0.0289 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0899 0.084
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0064 0.0714
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0192 0.1528
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.1273 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.1579 0.1415
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0078 0.1579 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.1273 0.1103

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.