Detailed information for compound 558108

Basic information

Technical information
  • TDR Targets ID: 558108
  • Name: trimethyl-[2-[6-[2-(trimethylammonio)ethoxyca rbonylamino]hexylcarbamoyloxy]ethyl]ammonium dibromide
  • MW: 536.343 | Formula: C18H40Br2N4O4
  • H donors: 2 H acceptors: 2 LogP: 3.14 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(OCC[N+](C)(C)C)NCCCCCCNC(=O)OCC[N+](C)(C)C.[Br-].[Br-]
  • InChi: 1S/C18H38N4O4.2BrH/c1-21(2,3)13-15-25-17(23)19-11-9-7-8-10-12-20-18(24)26-16-14-22(4,5)6;;/h7-16H2,1-6H3;2*1H
  • InChiKey: AFWBFAMUEOVLFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • trimethyl-[2-[oxo-[6-[[oxo-[2-(trimethylammonio)ethoxy]methyl]amino]hexylamino]methoxy]ethyl]ammonium dibromide
  • trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azanium dibromide
  • hexacarbacholine bromide
  • trimethyl-[2-[6-(2-trimethylazaniumylethoxycarbonylamino)hexylcarbamoyloxy]ethyl]azanium dibromide
  • trimethyl-[2-[6-(2-trimethylammonioethoxycarbonylamino)hexylcarbamoyloxy]ethyl]ammonium dibromide
  • trimethyl-[2-[oxo-[6-[[oxo-(2-trimethylammonioethoxy)methyl]amino]hexylamino]methoxy]ethyl]ammonium dibromide
  • 306-41-2
  • BC 16
  • Bromure d'hexcarbacholine [INN-French]
  • Bromuro de hexacarbacolina [INN-Spanish]
  • Carbolonium bromide
  • Choline bromide hexamethylenedicarbamate
  • Hexacarbacholini bromidum
  • Hexcarbacholine bromide
  • Hexcarbacholine bromide [INN]
  • Hexcarbacholini bromidum [INN-Latin]
  • Imbretil
  • N,N'-Hexamethylen bis(O-carbamoylcholin)dibromid
  • N,N,N,N',N',N'-Hexamethyl-4,13-dioxo-3,14-dioxa-5,12-diazahexadecamethylendiammonium dibromid

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
Loa Loa (eye worm) hypothetical protein 0.0026 0.0781 0.0987
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0336 0.0425
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0602 0.0275
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.4924 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0153 0.0194
Loa Loa (eye worm) hypothetical protein 0.0048 0.2116 0.2674
Loa Loa (eye worm) hypothetical protein 0.0033 0.1207 0.1526
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.407 0.5091
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.4924 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0153 0.0194
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.081 0.0928
Trichomonas vaginalis hypothetical protein 0.018 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0153 0.0089
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.2742 0.3465
Echinococcus granulosus GPCR family 2 0.0015 0.0153 0.0194
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0602 0.0275
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2116 0.2596
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0602 0.0275
Echinococcus multilocularis muscleblind protein 0.0145 0.7914 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.6674 1
Echinococcus multilocularis musashi 0.0026 0.081 0.1023
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.407 0.6007
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2742 0.397
Schistosoma mansoni hypothetical protein 0.0036 0.1376 0.1876
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0336 0.0323
Onchocerca volvulus 0.0081 0.407 0.7924
Echinococcus granulosus intermediate filament protein 0.0026 0.081 0.1023
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.4924 0.7317
Loa Loa (eye worm) hypothetical protein 0.0145 0.7914 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.018 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.1376 0.2267
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.2742 0.5243
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.018 1 1
Loa Loa (eye worm) TAR-binding protein 0.0125 0.6674 0.8433
Entamoeba histolytica hypothetical protein 0.0036 0.1376 0.2267
Entamoeba histolytica hypothetical protein 0.0036 0.1376 0.2267
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1376 0.1739
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.4924 0.6182
Echinococcus multilocularis GPCR, family 2 0.0015 0.0153 0.0194
Echinococcus granulosus tar DNA binding protein 0.0125 0.6674 0.8433
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1207 0.1436
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0083 0.0105
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1376 0.1739
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Schistosoma mansoni ap endonuclease 0.0018 0.0336 0.0281
Entamoeba histolytica hypothetical protein 0.0036 0.1376 0.2267
Schistosoma mansoni kinase 0.0048 0.2131 0.3033
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.407 0.5143
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2742 0.2489
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2116 0.2674
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0602 0.0275
Giardia lamblia Kinase, PLK 0.0095 0.4924 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.081 0.1007
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.2056 0.178
Brugia malayi Muscleblind-like protein 0.0145 0.7914 1
Schistosoma mansoni ap endonuclease 0.0018 0.0336 0.0281
Brugia malayi hypothetical protein 0.0036 0.1376 0.1651
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.2056 0.178
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.6674 0.8433
Loa Loa (eye worm) hypothetical protein 0.0145 0.7914 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.407 0.5143
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.081 0.1023
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.2742 0.2489
Schistosoma mansoni hypothetical protein 0.0033 0.1207 0.1617
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0602 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2742 0.2489
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.6674 0.8416
Schistosoma mansoni tar DNA-binding protein 0.0125 0.6674 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0153 0.0089
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.4924 0.4747
Echinococcus multilocularis tar DNA binding protein 0.0125 0.6674 0.8433
Echinococcus multilocularis muscleblind protein 1 0.0145 0.7914 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0602 0.0275
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.4924 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.6674 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.407 0.5143
Plasmodium vivax enoyl-acyl carrier protein reductase 0.018 1 1
Brugia malayi intermediate filament protein 0.0026 0.081 0.0928
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.4924 0.6222
Echinococcus multilocularis lamin 0.0026 0.081 0.1023
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.4924 0.6222
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.018 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2742 0.397
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1376 0.1876
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0153 0.0194
Echinococcus granulosus lamin dm0 0.0026 0.081 0.1023
Brugia malayi RNA binding protein 0.0125 0.6674 0.8416
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0602 0.0275
Entamoeba histolytica hypothetical protein 0.0023 0.0602 0.0579
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2116 0.2596
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0602 0.0275
Schistosoma mansoni tar DNA-binding protein 0.0125 0.6674 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0602 0.0579
Schistosoma mansoni tar DNA-binding protein 0.0125 0.6674 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0153 0.0194
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.018 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0602 0.0275
Echinococcus granulosus lamin 0.0026 0.081 0.1023
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0153 0.0194
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.018 1 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.081 0.1023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.2742 0.3465
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.2742 0.2489
Echinococcus multilocularis lamin dm0 0.0026 0.081 0.1023
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0336 0.0425
Echinococcus granulosus muscleblind protein 0.0145 0.7914 1
Brugia malayi TAR-binding protein 0.0125 0.6674 0.8416
Schistosoma mansoni lamin 0.0026 0.081 0.1007
Loa Loa (eye worm) hypothetical protein 0.0026 0.081 0.1023
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.4924 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0336 0.0425
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.4924 1
Schistosoma mansoni lamin 0.0026 0.081 0.1007
Loa Loa (eye worm) RNA binding protein 0.0125 0.6674 0.8433
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0602 0.0579
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2742 0.2489
Trypanosoma brucei polo-like protein kinase 0.0095 0.4924 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0153 0.0194
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.4924 0.6222

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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