Detailed information for compound 1823035

Basic information

Technical information
  • TDR Targets ID: 1823035
  • Name: 1-(4-ethoxyphenyl)-3-(pyridine-4-carbonylamin o)thiourea
  • MW: 316.378 | Formula: C15H16N4O2S
  • H donors: 3 H acceptors: 2 LogP: 1.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=S)NNC(=O)c1ccncc1
  • InChi: 1S/C15H16N4O2S/c1-2-21-13-5-3-12(4-6-13)17-15(22)19-18-14(20)11-7-9-16-10-8-11/h3-10H,2H2,1H3,(H,18,20)(H2,17,19,22)
  • InChiKey: AISPHXOMYOXRCX-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-ethoxyphenyl)-3-[[oxo-(4-pyridyl)methyl]amino]thiourea
  • 1-(4-ethoxyphenyl)-3-(pyridin-4-ylcarbonylamino)thiourea
  • ZINC00621474

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 Nuclear hormone receptor family member nhr-19 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0367 0.5692 0.5692
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0597 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0084 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0084 0.0084
Onchocerca volvulus 0.064 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0084 0.0352
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0084 0.0342
Loa Loa (eye worm) hypothetical protein 0.0273 0.4213 0.4213
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0084 0.0342
Brugia malayi ecdysteroid receptor 0.0011 0.0084 0.0084
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0084 0.0352
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0084 0.0084
Brugia malayi hypothetical protein 0.0367 0.5692 0.5692
Onchocerca volvulus 0.0367 0.5692 0.5656
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0084 0.0084
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.064 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0084 0.0084
Brugia malayi acetyltransferase, GNAT family protein 0.0163 0.247 0.247
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.066 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0163 0.247 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.5692 0.5692
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0084 0.0342
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0084 0.0342
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0367 0.5692 0.5692
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0084 0.0084
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0084 0.0342
Brugia malayi LBP/BPI 0.0273 0.4213 0.4213
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0084 0.0342
Loa Loa (eye worm) hypothetical protein 0.0367 0.5692 0.5692
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.4213 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0084 0.0084
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0084 0.0342
Onchocerca volvulus 0.064 1 1
Onchocerca volvulus 0.064 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0084 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0084 0.0084
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0084 0.0342
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0597 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0084 0.0084
Brugia malayi nuclear hormone receptor 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0084 0.0352
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0084 0.0084
Loa Loa (eye worm) acetyltransferase 0.0163 0.247 0.247
Loa Loa (eye worm) hypothetical protein 0.0273 0.4213 0.4213
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.2398 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0084 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0084 0.0084
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0163 0.247 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0084 0.0084
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0084 0.0084
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.064 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0084 0.0084
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0084 0.0084
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.066 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0084 0.0084
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0084 0.0342
Loa Loa (eye worm) hypothetical protein 0.0367 0.5692 0.5692
Onchocerca volvulus 0.064 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0084 0.0342
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0367 0.5692 0.5692
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0367 0.5692 0.5692
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0084 0.0342
Onchocerca volvulus 0.064 1 1
Loa Loa (eye worm) hypothetical protein 0.0367 0.5692 0.5692
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.064 1 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0084 0.0352
Brugia malayi hypothetical protein 0.0273 0.4213 0.4213
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0084 0.0352
Loa Loa (eye worm) hypothetical protein 0.0367 0.5692 0.5692
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0084 0.0342
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.064 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0597 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0084 0.0342
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0084 0.0084
Brugia malayi steroid hormone receptor 0.0011 0.0084 0.0084
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0084 0.0342
Onchocerca volvulus 0.064 1 1
Onchocerca volvulus 0.0273 0.4213 0.4164
Brugia malayi nuclear receptor NHR-88 0.0011 0.0084 0.0084
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0084 0.0084
Onchocerca volvulus 0.064 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0084 0.0352
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0084 0.0342
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0084 0.0352
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0084 0.0352
Schistosoma mansoni coup transcription factor 0.0011 0.0084 0.0342
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0084 0.0342
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0367 0.5692 0.5692
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0084 0.0084
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.066 0.5
Onchocerca volvulus 0.0367 0.5692 0.5656
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0084 0.0352
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0084 0.0342
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0084 0.0342
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0273 0.4213 0.4213
Brugia malayi hypothetical protein 0.0367 0.5692 0.5692
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0084 0.0342
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0084 0.0342
Loa Loa (eye worm) hypothetical protein 0.0273 0.4213 0.4213
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.066 0.2751
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0084 0.0342
Onchocerca volvulus 0.064 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 50 ug ml-1 Antifungal activity against Candida albicans ATCC 66027 by microbroth dilution method ChEMBL. 24513049

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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