Detailed information for compound 883288

Basic information

Technical information
  • TDR Targets ID: 883288
  • Name: 4-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)a mino]-1,3-thiazole-2-carboximidoyl cyanide
  • MW: 392.431 | Formula: C20H16N4O3S
  • H donors: 1 H acceptors: 2 LogP: 5.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N/N=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#N
  • InChi: 1S/C20H16N4O3S/c1-2-25-15-6-4-14(5-7-15)23-24-16(10-21)20-22-17(11-28-20)13-3-8-18-19(9-13)27-12-26-18/h3-9,11,23H,2,12H2,1H3/b24-16+
  • InChiKey: FUXJWKPCAZHXMB-LFVJCYFKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)amino]thiazole-2-carboximidoyl cyanide
  • 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-[(4-ethoxyphenyl)hydrazono]acetonitrile
  • (2E)-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-[(4-ethoxyphenyl)hydrazono]acetonitrile
  • (2E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-[(4-ethoxyphenyl)hydrazono]acetonitrile
  • 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-[(4-ethoxyphenyl)hydrazono]acetonitrile
  • (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)hydrazinylidene]ethanenitrile
  • 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4-ethoxyphenyl)hydrazinylidene]ethanenitrile

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 0.0071 0.4172 0.415
Echinococcus multilocularis muscleblind protein 0.0146 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1461 0.1461
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0417 0.116
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.3597 0.3187
Onchocerca volvulus Huntingtin homolog 0.0127 0.847 0.5
Echinococcus multilocularis tar DNA binding protein 0.0064 0.3597 0.3597
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0017 0 0.5
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1835 0.1805
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.3597 0.3573
Brugia malayi TAR-binding protein 0.0064 0.3597 0.3187
Schistosoma mansoni zinc finger protein 0.002 0.0186 0.0517
Echinococcus granulosus tar DNA binding protein 0.0064 0.3597 0.3597
Echinococcus granulosus zinc finger protein 0.002 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0039 0.1651 0.162
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0017 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0064 0.3597 0.3573
Trichomonas vaginalis ferritin, putative 0.0017 0 0.5
Onchocerca volvulus Huntingtin homolog 0.0127 0.847 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0268 0.0746
Mycobacterium ulcerans bacterioferritin BfrA 0.0017 0 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0417 0.0417
Treponema pallidum bacterioferrin (TpF1) 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1984 0.1954
Brugia malayi RNA binding protein 0.0064 0.3597 0.3187
Schistosoma mansoni bromodomain containing protein 0.0064 0.3592 0.9986
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3597 1
Echinococcus multilocularis muscleblind protein 1 0.0146 1 1
Brugia malayi MH2 domain containing protein 0.0123 0.822 0.8106
Echinococcus granulosus muscleblind protein 0.0146 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.822 0.8213
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3597 1
Brugia malayi Bromodomain containing protein 0.0039 0.1645 0.111
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1461 0.1461
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0017 0 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0268 0.0232
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3597 1
Brugia malayi hypothetical protein 0.0127 0.847 0.8372
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.822 0.8213
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3597 1
Echinococcus multilocularis zinc finger protein 0.002 0.0186 0.0186
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.3313 0.3313
Loa Loa (eye worm) hypothetical protein 0.0127 0.847 0.8464
Mycobacterium ulcerans bacterioferritin BfrB 0.0017 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0064 0.3597 0.3573
Brugia malayi Bromodomain containing protein 0.0075 0.4506 0.4154
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0417 0.0417
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.3313 0.3313
Schistosoma mansoni tar DNA-binding protein 0.0064 0.3597 1
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.847 0.8464

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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