Detailed information for compound 1021564

Basic information

Technical information
  • TDR Targets ID: 1021564
  • Name: [3-[5-(4-fluorophenoxy)pentoxy]phenyl]thioure a
  • MW: 348.435 | Formula: C18H21FN2O2S
  • H donors: 2 H acceptors: 0 LogP: 3.94 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)Nc1cccc(c1)OCCCCCOc1ccc(cc1)F
  • InChi: 1S/C18H21FN2O2S/c19-14-7-9-16(10-8-14)22-11-2-1-3-12-23-17-6-4-5-15(13-17)21-18(20)24/h4-10,13H,1-3,11-12H2,(H3,20,21,24)
  • InChiKey: LIFMAXCTWAYGLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0281 0.3637
Echinococcus granulosus chromobox protein 1 0.0076 0.0772 0.1556
Loa Loa (eye worm) hypothetical protein 0.0261 0.305 0.998
Echinococcus multilocularis chromobox protein 1 0.0076 0.0772 0.0615
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0304 1
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0304 0.3944
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0083 0.0851 0.0696
Loa Loa (eye worm) TAR-binding protein 0.0262 0.3056 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0281 0.3637
Schistosoma mansoni alpha-glucosidase 0.0141 0.1568 0.3605
Schistosoma mansoni hypothetical protein 0.0179 0.2032 0.4799
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.1849 0.4326
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0167 0.0546
Echinococcus granulosus tar DNA binding protein 0.0262 0.3056 0.7433
Toxoplasma gondii exonuclease III APE 0.0038 0.0304 1
Echinococcus granulosus geminin 0.0343 0.4054 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0399 0.191
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0012 0.004
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0281 0.3637
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0281 0.3637
Loa Loa (eye worm) hypothetical protein 0.0179 0.2032 0.665
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.1849 0.171
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0304 0.5
Brugia malayi N-terminal motif family protein 0.0183 0.209 0.6839
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0772 1
Schistosoma mansoni hypothetical protein 0.0083 0.0851 0.176
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0281 0.0918
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3056 0.7433
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0261 0.305 0.998
Brugia malayi latrophilin 2 splice variant baaae 0.0179 0.2032 0.665
Schistosoma mansoni alpha glucosidase 0.0036 0.0281 0.0292
Trypanosoma brucei glucosidase, putative 0.0036 0.0281 0.9221
Loa Loa (eye worm) hypothetical protein 0.0043 0.0359 0.1176
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0281 0.0918
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0281 0.9221
Brugia malayi RNA recognition motif domain containing protein 0.0262 0.3056 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0167 0.0546
Schistosoma mansoni hypothetical protein 0.0343 0.4054 1
Echinococcus multilocularis geminin 0.0343 0.4054 0.3953
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0304 0.3944
Brugia malayi intermediate filament protein 0.0027 0.0167 0.0546
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.0772 0.2525
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0281 0.0116
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0206 0.2667
Echinococcus granulosus GPCR family 2 0.0083 0.0851 0.176
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0304 0.0353
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0083 0.0851 0.0696
Brugia malayi RNA binding protein 0.0262 0.3056 1
Loa Loa (eye worm) RNA binding protein 0.0262 0.3056 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0281 0.0292
Onchocerca volvulus 0.0033 0.0246 0.1176
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0399 0.5175
Schistosoma mansoni ap endonuclease 0.0038 0.0304 0.0353
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0012 0.004
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0083 0.0851 0.176
Brugia malayi Latrophilin receptor protein 2 0.0083 0.0851 0.2785
Schistosoma mansoni chromobox protein 0.0076 0.0772 0.1556
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0281 0.3637
Brugia malayi Calcitonin receptor-like protein seb-1 0.0261 0.305 0.998
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0281 0.9221
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3056 0.7433
Schistosoma mansoni hypothetical protein 0.0083 0.0851 0.176
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0304 1
Echinococcus multilocularis GPCR, family 2 0.0083 0.0851 0.0696
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0281 0.3637
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.1849 0.6049
Schistosoma mansoni ap endonuclease 0.0038 0.0304 0.0353
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0359 0.4657
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0281 0.3637
Onchocerca volvulus 0.0027 0.0167 0.0799
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3056 0.7433
Loa Loa (eye worm) hypothetical protein 0.0183 0.209 0.6839
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0772 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0304 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0281 0.3637
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0359 0.4657
Loa Loa (eye worm) hypothetical protein 0.0027 0.0167 0.0546
Loa Loa (eye worm) latrophilin receptor protein 2 0.0083 0.0851 0.2785
Echinococcus granulosus chromobox protein 1 0.0076 0.0772 0.1556
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0281 0.3637
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0167 0.0546
Onchocerca volvulus 0.0027 0.0167 0.0799
Echinococcus multilocularis chromobox protein 1 0.0076 0.0772 0.0615
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0304 1
Onchocerca volvulus 0.0095 0.0999 0.478
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0399 0.5175
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0281 0.9221
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.1849 0.171
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3056 0.7433
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0304 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0304 1
Brugia malayi Heterochromatin protein 1 0.0076 0.0772 0.2525
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0304 0.0996
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0261 0.305 0.998
Schistosoma mansoni hypothetical protein 0.0343 0.4054 1
Brugia malayi TAR-binding protein 0.0262 0.3056 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0246 0.0804
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0304 0.0996
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0304 0.014
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0083 0.0851 0.176
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.209 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0161 0.0527
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0304 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0304 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.1849 0.6049
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0281 0.9221
Schistosoma mansoni hypothetical protein 0.0083 0.0851 0.176
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0304 0.5
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3056 0.7433
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0206 0.2667
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0281 0.9221
Schistosoma mansoni alpha-glucosidase 0.0141 0.1568 0.3605
Brugia malayi chromobox protein homolog 3 0.0043 0.0359 0.1176
Schistosoma mansoni chromobox protein 0.0076 0.0772 0.1556
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0359 0.1719
Loa Loa (eye worm) hypothetical protein 0.0083 0.0851 0.2785
Schistosoma mansoni hypothetical protein 0.0083 0.0851 0.176
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0262 0.3056 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0083 0.0851 0.2785
Echinococcus multilocularis tar DNA binding protein 0.0262 0.3056 0.2938
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0304 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0304 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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