Detailed information for compound 886220

Basic information

Technical information
  • TDR Targets ID: 886220
  • Name: 1-(4-diethylaminophenyl)-3-[(3,4-difluorophen yl)methyl]thiourea
  • MW: 349.441 | Formula: C18H21F2N3S
  • H donors: 2 H acceptors: 0 LogP: 4.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)NC(=S)NCc1ccc(c(c1)F)F)CC
  • InChi: 1S/C18H21F2N3S/c1-3-23(4-2)15-8-6-14(7-9-15)22-18(24)21-12-13-5-10-16(19)17(20)11-13/h5-11H,3-4,12H2,1-2H3,(H2,21,22,24)
  • InChiKey: CFOUTMXWVRVBNB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-diethylaminophenyl)-3-(3,4-difluorobenzyl)thiourea
  • Oprea1_287406

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) nuclear hormone receptor family member nhr-31 0.0031 0.0623 0.066
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0061 0.0122
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.017 0.6567
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.1046 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0623 0.0623
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0623 0.0623
Brugia malayi steroid hormone receptor 0.0031 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0064
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0623 0.1254
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0623 0.1254
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0623 0.0623
Leishmania major DNA polymerase kappa, putative 0.0022 0.0259 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0623 0.066
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0623 0.0623
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0083 0.0792
Brugia malayi hypothetical protein 0.0016 0.0061 0.0061
Schistosoma mansoni coup transcription factor 0.0031 0.0623 0.1118
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0623 0.0623
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0623 0.1118
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.017 0.1629
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0623 0.1118
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.5131 0.9205
Brugia malayi polk-prov protein 0.0032 0.0653 0.0653
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0064
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0623 0.1118
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0967 1
Brugia malayi nuclear hormone receptor 0.0031 0.0623 0.0623
Brugia malayi nuclear receptor NHR-88 0.0031 0.0623 0.0623
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0623 0.066
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0967 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0623 0.1118
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0623 0.0623
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0623 0.0623
Loa Loa (eye worm) acetyltransferase 0.0149 0.5131 0.5436
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0967 1
Loa Loa (eye worm) hypothetical protein 0.026 0.937 0.9929
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0623 0.1118
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.1046 0.9346
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0259 0.2481
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0623 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.4382 0.8815
Schistosoma mansoni ap endonuclease 0.0019 0.017 0.0306
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0623 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1046 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0623 0.1118
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.5131 0.5131
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.1046 0.9346
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.1046 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0623 0.066
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0623 0.1118
Trypanosoma brucei unspecified product 0.0036 0.0786 0.7519
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0061 0.0109
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0786 0.7519
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0061 0.0109
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0623 0.1118
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.017 0.1761
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.4382 0.7861
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0623 0.0623
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1107 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0623 0.066
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0623 0.1118
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0623 0.1254
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1107 1
Schistosoma mansoni thyroid hormone receptor 0.0161 0.5574 1
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.9438 0.9438
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0623 0.066
Brugia malayi ecdysteroid receptor 0.0031 0.0623 0.0623
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0653 0.6246
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0064
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0623 0.1118
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.017 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0623 0.1254
Loa Loa (eye worm) hypothetical protein 0.0032 0.0653 0.0692
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0623 0.0623
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0083 0.0792
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0262 0.9438 1
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0623 0.1118
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0259 1
Echinococcus granulosus dna polymerase kappa 0.0042 0.1046 0.2104
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1107 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.017 0.0181
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1046 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0259 1
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0623 0.1254
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1107 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0623 0.1254
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0623 0.1118
Brugia malayi nuclear receptor RXR 0.0016 0.0061 0.0061
Schistosoma mansoni ap endonuclease 0.0019 0.017 0.0306
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.017 0.017
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.017 0.0343
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0623 0.1118
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0623 0.1118
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0623 0.0623
Echinococcus multilocularis dna polymerase kappa 0.0042 0.1046 0.1876
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0623 0.0623
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0623 0.1118
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.1046 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1046 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1107 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0623 0.0623
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0623 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.017 0.1629
Brugia malayi Nuclear hormone receptor-like 1 0.0262 0.9438 0.9438
Onchocerca volvulus 0.0031 0.0623 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0623 0.1254
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0161 0.5574 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1107 0.2227
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.4971 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.017 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.1046 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0623 0.1118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0623 0.066
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.017 0.0306
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.017 0.6567
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0061 0.0109
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.017 0.1629
Giardia lamblia DINP protein human, muc B family 0.0022 0.0259 0.1117
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0623 0.0623
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0623 0.1118
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0623 0.1254
Brugia malayi hypothetical protein 0.0016 0.0061 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.1046 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.1046 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.5131 0.9205
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0623 0.1118
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0623 0.066
Schistosoma mansoni hypothetical protein 0.013 0.4382 0.7861
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0653 0.6246
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0623 0.1254
Schistosoma mansoni thyroid hormone receptor 0.0161 0.5574 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0623 0.066
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0623 0.0623
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0083 0.0792

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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