Detailed information for compound 558107

Basic information

Technical information
  • TDR Targets ID: 558107
  • Name: trimethyl-[2-[4-oxo-4-[2-(trimethylammonio)et hoxy]butanoyl]oxyethyl]ammonium dibromide
  • MW: 450.207 | Formula: C14H30Br2N2O4
  • H donors: 0 H acceptors: 2 LogP: 1.92 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C.[Br-].[Br-]
  • InChi: 1S/C14H30N2O4.2BrH/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
  • InChiKey: HKDOIORVQFUBKO-UHFFFAOYSA-L  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1,4-dioxo-4-[2-(trimethylammonio)ethoxy]butoxy]ethyl-trimethylammonium dibromide
  • trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl]oxyethyl]azanium dibromide
  • 2-[4-keto-4-[2-(trimethylammonio)ethoxy]butanoyl]oxyethyl-trimethyl-ammonium dibromide
  • Succinylcholine
  • trimethyl-[2-[4-oxo-4-(2-trimethylazaniumylethoxy)butanoyl]oxyethyl]azanium dibromide
  • trimethyl-[2-[4-oxo-4-(2-trimethylammonioethoxy)butanoyl]oxyethyl]ammonium dibromide
  • 2-[1,4-dioxo-4-(2-trimethylammonioethoxy)butoxy]ethyl-trimethylammonium dibromide
  • 2-[4-keto-4-(2-trimethylammonioethoxy)butanoyl]oxyethyl-trimethyl-ammonium dibromide
  • 306-40-1
  • 55-94-7
  • Bis(2-dimethylaminoethyl)succinate bis(methobromide)
  • Brevedil M
  • Brevidil M
  • Choline, bromide, succinate (2:1)
  • EINECS 200-248-1
  • Ethanaminium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy))bis(N,N,N-trimethyl-, dibromide
  • Ethanaminium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy))bis(N,N,N-trimethyl-, dibromide (9CI)
  • L.T. 1
  • M & B 2207
  • Myorelaxin
  • NSC 151059
  • Succinylcholine bromide
  • Suxamethonium bromide
  • Suxamethonium bromide [BAN]
  • Suxamethonium dibromide
  • 2,2'-Succinyldioxybis(ethyltrimethylammonium) dibromide
  • 370 I.S.

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 0.0149 0.6997 1
Echinococcus granulosus muscleblind protein 0.0147 0.6907 0.8601
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0363 0.0314
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0205 1 1
Brugia malayi RNase H family protein 0.0026 0.0481 0.0179
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0596 0.0309
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0205 1 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0205 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.2427 0.2604
Trypanosoma brucei unspecified product 0.0028 0.0596 0.0309
Leishmania major ribonuclease H1, putative 0.0026 0.0481 1
Schistosoma mansoni hypothetical protein 0.0167 0.7953 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0363 0.0449
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2427 0.3111
Schistosoma mansoni hypothetical protein 0.0096 0.4203 0.4981
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0205 1 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0363 0.5
Trypanosoma cruzi ribonuclease H1, putative 0.0026 0.0481 0.5
Brugia malayi RNase H family protein 0.0026 0.0481 0.0179
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2427 0.2604
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0363 0.0314
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0363 0.0314
Brugia malayi RNase H family protein 0.0026 0.0481 0.0179
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0596 0.0309
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2427 0.2604
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.6907 0.987
Loa Loa (eye worm) hypothetical protein 0.0023 0.0363 0.0449
Trypanosoma brucei ingi protein (ORF1) 0.0028 0.0596 0.0309
Brugia malayi RNA binding protein 0.0062 0.2427 0.3111
Trypanosoma brucei RNA helicase, putative 0.0096 0.4203 1
Trypanosoma cruzi ribonuclease H1, putative 0.0026 0.0481 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0363 0.5
Echinococcus granulosus geminin 0.0167 0.7953 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0363 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2427 0.2604
Plasmodium falciparum enoyl-acyl carrier reductase 0.0205 1 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.2427 0.3421
Loa Loa (eye worm) hypothetical protein 0.0147 0.6907 0.987
Onchocerca volvulus 0.0149 0.6997 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2427 0.2604
Trichomonas vaginalis hypothetical protein 0.0205 1 1
Echinococcus multilocularis muscleblind protein 0.0147 0.6907 0.8601
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2427 0.3421
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0363 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0363 0.0363
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2427 0.3421
Brugia malayi hypothetical protein 0.0149 0.6997 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0028 0.0596 0.0309
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0023 0.0363 0.0449
Treponema pallidum ribonuclease H (rnhA) 0.0026 0.0481 0.5
Echinococcus multilocularis geminin 0.0167 0.7953 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.005 0.005
Echinococcus multilocularis muscleblind protein 1 0.0147 0.6907 0.8601
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2427 0.2604
Brugia malayi TAR-binding protein 0.0062 0.2427 0.3111
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0363 0.0314
Onchocerca volvulus Ribonuclease H1 homolog 0.0026 0.0481 0.0179
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0363 0.0314
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0363 0.0314
Giardia lamblia Ribonuclease H 0.0026 0.0481 0.5
Mycobacterium ulcerans hypothetical protein 0.0023 0.0363 0.0314
Brugia malayi Muscleblind-like protein 0.0147 0.6907 0.9864
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0205 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2427 0.2604
Schistosoma mansoni hypothetical protein 0.0167 0.7953 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

14 literature references were collected for this gene.

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