Detailed information for compound 650619

Basic information

Technical information
  • TDR Targets ID: 650619
  • Name: (E)-2-(1-ethylbenzimidazol-2-yl)-3-(3-hydroxy phenyl)prop-2-enenitrile
  • MW: 289.331 | Formula: C18H15N3O
  • H donors: 1 H acceptors: 3 LogP: 3.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1cccc(c1)O)c1nc2c(n1CC)cccc2
  • InChi: 1S/C18H15N3O/c1-2-21-17-9-4-3-8-16(17)20-18(21)14(12-19)10-13-6-5-7-15(22)11-13/h3-11,22H,2H2,1H3/b14-10+
  • InChiKey: ONZQXEHXJDGTPW-GXDHUFHOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-ethylbenzimidazol-2-yl)-3-(3-hydroxyphenyl)prop-2-enenitrile
  • (E)-2-(1-ethyl-2-benzimidazolyl)-3-(3-hydroxyphenyl)prop-2-enenitrile
  • 2-(1-ethyl-2-benzimidazolyl)-3-(3-hydroxyphenyl)prop-2-enenitrile
  • (E)-2-(1-ethylbenzimidazol-2-yl)-3-(3-hydroxyphenyl)acrylonitrile
  • 2-(1-ethylbenzimidazol-2-yl)-3-(3-hydroxyphenyl)acrylonitrile
  • ST5185177
  • (E)-2-(1-Ethyl-1H-benzoimidazol-2-yl)-3-(3-hydroxy-phenyl)-acrylonitrile
  • BAS 02784940

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
Brugia malayi TAR-binding protein 0.0071 0.7577 0.7421
Echinococcus granulosus tar DNA binding protein 0.0071 0.7577 0.7534
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 1 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.7577 0.7534
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.6916 0.6861
Loa Loa (eye worm) hypothetical protein 0.0086 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.3476 0.0618
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.2605 0.2472
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 1 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0 0.5
Schistosoma mansoni bromodomain containing protein 0.0071 0.7566 0.7522
Entamoeba histolytica hypothetical protein 0.0024 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0071 0.7577 0.6516
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0071 0.7577 0.6516
Loa Loa (eye worm) hypothetical protein 0.0048 0.3823 0.1116
Brugia malayi RNA binding protein 0.0071 0.7577 0.7421
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0071 0.7577 0.7534
Schistosoma mansoni tar DNA-binding protein 0.0071 0.7577 0.7534
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0 0.5
Brugia malayi Bromodomain containing protein 0.0043 0.3034 0.2585
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.7577 0.7534
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 1 1
Brugia malayi Bromodomain containing protein 0.0084 0.9691 0.9671
Onchocerca volvulus 0.0086 1 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.6916 0.6861
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0 0.5
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.7577 0.7534
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.7577 0.7421
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.7577 0.6516
Trypanosoma brucei hypothetical protein, conserved 0.0024 0 0.5
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.7577 0.7534
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.2605 0.2472
Loa Loa (eye worm) hypothetical protein 0.0079 0.8915 0.844
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0024 0 0.5
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0 0.5

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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