Detailed information for compound 253629

Basic information

Technical information
  • TDR Targets ID: 253629
  • Name: 3-bromopropyl(trimethyl)azanium bromide
  • MW: 260.998 | Formula: C6H15Br2N
  • H donors: 0 H acceptors: 0 LogP: 2.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCCC[N+](C)(C)C.[Br-]
  • InChi: 1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
  • InChiKey: NNZGNZHUGJAKKT-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 3-bromopropyl(trimethyl)ammonium bromide
  • 3-bromopropyltrimethylammonium bromide
  • 3-bromopropyl-trimethylazanium bromide
  • 3-bromopropyl-trimethyl-ammonium bromide
  • 3-bromopropyl-trimethylammonium bromide
  • 3-bromopropyl-trimethyl-azanium bromide
  • 3779-42-8
  • 1-Propanaminium, 3-bromo-N,N,N-trimethyl-, bromide
  • NSC114234
  • NSC 114234
  • BPTMA
  • (3-Bromopropyl)trimethylammonium bromide
  • 347604_ALDRICH

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
Echinococcus multilocularis transfer RNA-Ile 0.0508 1 1
Trypanosoma brucei unspecified product 0.0027 0.0055 0.0119
Echinococcus multilocularis thymidine kinase 0.0508 1 1
Echinococcus granulosus solute carrier family 28 0.0342 0.6561 0.6477
Echinococcus granulosus thymidine kinase 0.0508 1 1
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0055 0.0119
Loa Loa (eye worm) glycogen phosphorylase 0.0326 0.6242 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0 0.5
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0342 0.6561 0.6477
Trichomonas vaginalis cytidine deaminase, putative 0.0053 0.0594 0.0593
Echinococcus multilocularis Glycosyl transferase, family 35 0.0326 0.6242 0.615
Schistosoma mansoni hypothetical protein 0.0169 0.2976 0.2832
Schistosoma mansoni inositol monophosphatase 0.0036 0.0238 0.0037
Trichomonas vaginalis thymidine kinase, putative 0.0248 0.4626 0.7308
Trichomonas vaginalis glycogen phosphorylase, putative 0.0326 0.6242 1
Trichomonas vaginalis thymidine kinase, putative 0.0248 0.4626 0.7308
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0053 0.0594 1
Schistosoma mansoni glycogen phosphorylase 0.0326 0.6242 0.6164
Echinococcus multilocularis thymidine kinase 0.0508 1 1
Giardia lamblia Deoxynucleoside kinase 0.0375 0.7235 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0326 0.6242 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.053 0.085
Schistosoma mansoni thymidine kinase 0.0508 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0445 0.0249
Trichomonas vaginalis cytidine deaminase, putative 0.0053 0.0594 0.0593
Brugia malayi Inositol-1 0.0036 0.0238 0.0381
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0201 0.0322
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.208 0.1887
Brugia malayi carbohydrate phosphorylase 0.0326 0.6242 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0445 0.0212
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0445 0.0712
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Trichomonas vaginalis thymidine kinase, putative 0.0248 0.4626 0.7308
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0508 1 1
Schistosoma mansoni hypothetical protein 0.0125 0.208 0.1918
Entamoeba histolytica glycogen phosphorylase, putative 0.0326 0.6242 1
Echinococcus granulosus geminin 0.0169 0.2976 0.2806
Mycobacterium ulcerans cytidine deaminase 0.0053 0.0594 0.1641
Trichomonas vaginalis glycogen phosphorylase, putative 0.0326 0.6242 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0141 0.2409 1
Brugia malayi cytidine deaminase, identical 0.0053 0.0594 0.0951
Loa Loa (eye worm) inositol-1 0.0036 0.0238 0.0381
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0053 0.0594 0.1932
Schistosoma mansoni glycogen phosphorylase 0.0141 0.2409 0.2253
Schistosoma mansoni glycogen phosphorylase 0.0326 0.6242 0.6164
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.053 0.085
Entamoeba histolytica glycogen phosphorylase, putative 0.0141 0.2409 0.3616
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0445 0.0212
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0238 0.5
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0027 0.0055 0.0119
Schistosoma mansoni hypothetical protein 0.0051 0.0554 0.036
Schistosoma mansoni hypothetical protein 0.0169 0.2976 0.2832
Loa Loa (eye worm) hypothetical protein 0.0034 0.0201 0.0322
Trypanosoma brucei ingi protein (ORF1) 0.0027 0.0055 0.0119
Loa Loa (eye worm) hypothetical protein 0.005 0.053 0.085
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0053 0.0594 1
Echinococcus granulosus cytidine deaminase 0.0053 0.0594 0.0365
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.053 0.085
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0445 0.0712
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0514
Schistosoma mansoni thyroid hormone receptor 0.0135 0.2288 0.213
Chlamydia trachomatis glycogen phosphorylase 0.0326 0.6242 0.5
Trypanosoma brucei RNA helicase, putative 0.0223 0.41 0.8864
Schistosoma mansoni hypothetical protein 0.0223 0.41 0.3979
Trypanosoma brucei cytidine deaminase 0.0053 0.0594 0.1284
Echinococcus multilocularis glycogen phosphorylase 0.0326 0.6242 0.615
Trypanosoma brucei thymidine kinase 0.0248 0.4626 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0141 0.2409 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0445 0.0249
Echinococcus granulosus glycogen phosphorylase 0.0326 0.6242 0.615
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0445 0.0212
Echinococcus multilocularis solute carrier family 28 0.0342 0.6561 0.6477
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0514
Leishmania major thymidine kinase, putative 0.0248 0.4626 1
Trypanosoma brucei hypothetical protein, conserved 0.0027 0.0055 0.0119
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0053 0.0594 0.1284
Trypanosoma cruzi thymidine kinase, putative 0.0248 0.4626 1
Leishmania major cytidine deaminase-like protein 0.0053 0.0594 0.1284
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0342 0.6561 0.6477
Entamoeba histolytica thymidine kinase, putative 0.0248 0.4626 0.7308
Trypanosoma cruzi thymidine kinase, putative 0.0248 0.4626 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.0326 0.6242 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0514
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.2288 0.21
Giardia lamblia Thymidine kinase 0.0248 0.4626 0.607
Trypanosoma cruzi cytidine deaminase-like protein 0.0053 0.0594 0.1284
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0 0.5
Entamoeba histolytica glycogenphosphorylase, putative 0.0141 0.2409 0.3616
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.208 0.1887
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0223 0.4102 0.3958
Schistosoma mansoni inositol monophosphatase 0.0036 0.0238 0.0037
Echinococcus multilocularis cytidine deaminase 0.0053 0.0594 0.0365
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0445 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0445 0.0249
Schistosoma mansoni thyroid hormone receptor 0.0135 0.2288 0.213
Entamoeba histolytica glycogen phosphorylase, putative 0.0141 0.2409 0.3616
Giardia lamblia Glycogen phosphorylase 0.0326 0.6242 0.8504
Echinococcus multilocularis geminin 0.0169 0.2976 0.2806
Echinococcus multilocularis glycogen phosphorylase 0.0326 0.6242 0.615
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0342 0.6561 0.6477
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0238 0.0514
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0238 0.4
Entamoeba histolytica cytidine deaminase, putative 0.0053 0.0594 0.0593
Echinococcus granulosus glycogen phosphorylase 0.0326 0.6242 0.615
Echinococcus granulosus Glycosyl transferase family 35 0.0326 0.6242 0.615

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0000879 M Inhibitory activity against Acetylcholinesterase ChEMBL. 8978837
IC50 (binding) = 8.79 nM Inhibitory activity against Acetylcholinesterase ChEMBL. 8978837

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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