Detailed information for compound 1701424

Basic information

Technical information
  • TDR Targets ID: 1701424
  • Name: 1-[(4-chlorophenyl)methyl]-3-ethylthiourea
  • MW: 228.742 | Formula: C10H13ClN2S
  • H donors: 2 H acceptors: 0 LogP: 2.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=S)NCc1ccc(cc1)Cl
  • InChi: 1S/C10H13ClN2S/c1-2-12-10(14)13-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H2,12,13,14)
  • InChiKey: UWZZUKMOHNJNEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(4-chlorophenyl)methyl]-3-ethyl-thiourea
  • 1-(4-chlorobenzyl)-3-ethyl-thiourea
  • MLS000575346
  • N-(4-chlorobenzyl)-N'-ethylthiourea
  • SMR000196580
  • ZINC04681994
  • STK139485

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
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0177 0.0708
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0177 0.0177
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0687 0.0687
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0687 0.0687
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0177 0.0708
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0177 0.0708
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.2744
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0177 0.0708
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0177 0.0177
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0177 0.0708
Echinococcus granulosus GPCR family 2 0.0019 0.0687 0.2744
Echinococcus multilocularis GPCR, family 2 0.0019 0.0687 0.2744
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0177 0.0177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0687 0.0687
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0687 0.2744
Schistosoma mansoni hypothetical protein 0.0041 0.2332 0.9318
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0177 0.0177
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2503 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0177 0.0708
Brugia malayi nuclear hormone receptor 0.0012 0.0177 0.0177
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0177 0.0708
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.2744
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0177 0.0708
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0177 0.0708
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.2744
Schistosoma mansoni coup transcription factor 0.0012 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0177 0.0177
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0177 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0177 0.0708
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0177 0.0177
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0177 0.0708
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0177 0.0177
Schistosoma mansoni hypothetical protein 0.0043 0.2503 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2503 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0177 0.0708
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.375 0.375
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0177 0.0708
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0177 0.0708
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0177 0.0708
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.375 0.375
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0177 0.0708
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0687 0.2744
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0177 0.0708
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0177 0.0708
Brugia malayi ecdysteroid receptor 0.0012 0.0177 0.0177
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0177 0.0708
Onchocerca volvulus 0.0012 0.0177 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0177 0.0708
Schistosoma mansoni hypothetical protein 0.0019 0.0687 0.2744
Brugia malayi hypothetical protein 0.0043 0.2503 0.2503
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0177 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0177 0.0708
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0177 0.0708
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0687 0.2744
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0177 0.0177
Brugia malayi steroid hormone receptor 0.0012 0.0177 0.0177
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.006 0.375 0.375
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0177 0.0708
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0177 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.2332 0.2332
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0177 0.0177
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0177 0.0708
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0177 0.0177
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0177 0.0708
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0177 0.0177
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2503 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0177 0.0708
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0019 0.0687 0.0687
Brugia malayi nuclear receptor NHR-88 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0177 0.0177
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0687 0.2744
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0177 0.0177
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0177 0.0708
Entamoeba histolytica hypothetical protein 0.0043 0.2503 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.0177 0.0177
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0177 0.0177
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2332 0.2332
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.375 0.375

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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