Detailed information for compound 1558736

Basic information

Technical information
  • TDR Targets ID: 1558736
  • Name: 2-[3-(2-acetyloxyethyl)-5,6-dichloro-2-methyl benzimidazol-1-ium-1-yl]ethyl acetate
  • MW: 374.239 | Formula: C16H19Cl2N2O4+
  • H donors: 0 H acceptors: 2 LogP: 2.87 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OCCn1c(C)[n+](c2c1cc(Cl)c(c2)Cl)CCOC(=O)C
  • InChi: 1S/C16H19Cl2N2O4/c1-10-19(4-6-23-11(2)21)15-8-13(17)14(18)9-16(15)20(10)5-7-24-12(3)22/h8-9H,4-7H2,1-3H3/q+1
  • InChiKey: RQFWOOAFUHQYOG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[3-(2-acetoxyethyl)-5,6-dichloro-2-methyl-benzimidazol-1-ium-1-yl]ethyl acetate
  • acetic acid 2-[3-(2-acetoxyethyl)-5,6-dichloro-2-methyl-1-benzimidazol-1-iumyl]ethyl ester
  • acetic acid 2-[3-(2-acetoxyethyl)-5,6-dichloro-2-methyl-benzimidazol-1-ium-1-yl]ethyl ester
  • 2-[3-(2-acetyloxyethyl)-5,6-dichloro-2-methyl-benzimidazol-1-ium-1-yl]ethyl ethanoate
  • ZINC00777851
  • 1,3-Bis-(2-acetoxy-ethyl)-5,6-dichloro-2-methyl-3H-benzoimidazol-1-ium
  • BAS 00004267

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 granulosus uncharacterized sodium dependent transporter 0.0124 0.1465 0.1371
Echinococcus multilocularis serotonin transporter 0.0728 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0124 0.1465 0.1371
Loa Loa (eye worm) hypothetical protein 0.0505 0.6858 0.6319
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0124 0.1465 0.1371
Echinococcus multilocularis sodium and chloride dependent glycine 0.0124 0.1465 0.1371
Loa Loa (eye worm) norepinephrine transporter 0.0728 1 1
Echinococcus multilocularis conserved hypothetical protein 0.0712 0.9775 0.9772
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0124 0.1465 0.1371
Loa Loa (eye worm) solute carrier family 6 member 4 0.0728 1 1
Toxoplasma gondii hypothetical protein 0.0124 0.1465 0.5
Brugia malayi Myb-like DNA-binding domain containing protein 0.0505 0.6858 0.6319
Echinococcus granulosus sodium and chloride dependent glycine 0.0124 0.1465 0.1371
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0124 0.1465 0.1371
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0124 0.1465 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0124 0.1465 0.1371
Loa Loa (eye worm) hypothetical protein 0.0728 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0124 0.1465 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0728 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0124 0.1465 0.1371
Plasmodium vivax amine transporter, putative 0.0124 0.1465 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0124 0.1465 0.1371
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.002 0 0.5
Plasmodium falciparum transporter, putative 0.0124 0.1465 0.5
Plasmodium falciparum amino acid transporter, putative 0.0124 0.1465 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0124 0.1465 0.1371
Treponema pallidum sodium- and chloride- dependent transporter 0.0728 1 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0124 0.1465 1
Onchocerca volvulus 0.0728 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0124 0.1465 0.5
Plasmodium vivax hypothetical protein, conserved 0.0124 0.1465 0.5
Brugia malayi Serotonin receptor 0.0482 0.6527 0.5931
Echinococcus granulosus hypothetical protein 0.0719 0.9879 0.9877
Loa Loa (eye worm) hypothetical protein 0.052 0.7067 0.6563
Loa Loa (eye worm) serotonin transporter b 0.0728 1 1
Onchocerca volvulus CoRest homolog 0.052 0.7067 0.6563
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.002 0 0.5
Toxoplasma gondii hypothetical protein 0.0124 0.1465 0.5
Loa Loa (eye worm) hypothetical protein 0.0728 1 1
Echinococcus granulosus serotonin transporter 0.0728 1 1
Loa Loa (eye worm) hypothetical protein 0.0728 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0728 1 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

No literature references available for this target.

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