Detailed information for compound 709368

Basic information

Technical information
  • TDR Targets ID: 709368
  • Name: 3-(4-acetylphenyl)-1-(3,5-dimethoxyphenyl)thi ourea
  • MW: 330.401 | Formula: C17H18N2O3S
  • H donors: 2 H acceptors: 1 LogP: 2.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=S)Nc2ccc(cc2)C(=O)C)cc(c1)OC
  • InChi: 1S/C17H18N2O3S/c1-11(20)12-4-6-13(7-5-12)18-17(23)19-14-8-15(21-2)10-16(9-14)22-3/h4-10H,1-3H3,(H2,18,19,23)
  • InChiKey: YPODSICEACTIHK-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(3,5-dimethoxyphenyl)-3-(4-ethanoylphenyl)thiourea
  • ZINC00612036
  • IVK/1636226

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 hypothetical protein 0.0167 0.5536 0.6056
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0463 0.0207
Echinococcus multilocularis geminin 0.0167 0.5536 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.126 0.1025
Schistosoma mansoni ap endonuclease 0.0018 0.0463 0.0338
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0463 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.037 0.2517
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.4643 0.4499
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0463 0.023
Echinococcus granulosus bloom syndrome protein 0.0024 0.0638 0.0884
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.126 0.1025
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0164 0.1113
Loa Loa (eye worm) hypothetical protein 0.0119 0.3899 0.421
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0463 0.0207
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0463 1
Loa Loa (eye worm) glutaminase 2 0.0269 0.9035 1
Loa Loa (eye worm) RecQ helicase 0.0024 0.0638 0.0535
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0262 0.5651
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0638 0.0429
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0638 0.0884
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.5187 1
Toxoplasma gondii hypothetical protein 0.0048 0.147 1
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0638 0.0535
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0463 0.0338
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0297 1 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0638 0.0429
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0463 0.0558
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.126 0.1025
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0463 0.0338
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0463 0.7958
Mycobacterium ulcerans glutaminase 0.0269 0.9035 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0463 0.023
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.054 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0297 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.126 0.1025
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0164 0.1113
Brugia malayi glutaminase DH11.1 0.0269 0.9035 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.4643 0.4499
Loa Loa (eye worm) glutaminase 0.0269 0.9035 1
Schistosoma mansoni glutaminase 0.0269 0.9035 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0297 1 1
Echinococcus granulosus geminin 0.0167 0.5536 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0463 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0463 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0463 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1573 0.1346
Toxoplasma gondii exonuclease III APE 0.0018 0.0463 0.3151
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.4643 0.4499
Trichomonas vaginalis glutaminase, putative 0.0269 0.9035 1
Mycobacterium ulcerans hypothetical protein 0.0156 0.5187 0.5511
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0468 0.0343
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0463 0.0207
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0463 0.0558
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0463 0.0207
Schistosoma mansoni hypothetical protein 0.0167 0.5536 0.6056
Schistosoma mansoni ap endonuclease 0.0018 0.0463 0.0338

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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