Detailed information for compound 911207

Basic information

Technical information
  • TDR Targets ID: 911207
  • Name: 1-[4-(2,4-dimethoxyphenyl)-6-methyl-2-sulfany lidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
  • MW: 306.38 | Formula: C15H18N2O3S
  • H donors: 1 H acceptors: 1 LogP: 1.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1C1NC(=NC(=C1C(=O)C)C)S
  • InChi: 1S/C15H18N2O3S/c1-8-13(9(2)18)14(17-15(21)16-8)11-6-5-10(19-3)7-12(11)20-4/h5-7,14H,1-4H3,(H2,16,17,21)
  • InChiKey: DEZAPWFGQBGPCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(2,4-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
  • STOCK2S-69984
  • EU-0072344
  • BAS 01191946

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 tar DNA-binding protein 0.0397 0.4802 0.7093
Loa Loa (eye worm) hypothetical protein 0.0181 0.2077 0.2077
Brugia malayi MH2 domain containing protein 0.0037 0.0258 0.0258
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0151 0.1245
Echinococcus multilocularis mothers against decapentaplegic 5 0.0037 0.0258 0.0536
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0151 0.1245
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.0834 0.1737
Schistosoma mansoni hypothetical protein 0.0553 0.677 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0809 1 1
Brugia malayi isocitrate dehydrogenase 0.0017 0.0002 0.0002
Brugia malayi Probable ClpP-like protease 0.0083 0.0834 0.0834
Brugia malayi MH1 domain containing protein 0.002 0.0049 0.0049
Brugia malayi MH1 domain containing protein 0.0037 0.0258 0.0258
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0037 0.0258 0.0536
Brugia malayi hypothetical protein 0.0072 0.0698 0.0698
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0397 0.4802 0.4802
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0475 1
Brugia malayi Smad1 0.0037 0.0258 0.0258
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.0834 0.1737
Plasmodium falciparum ataxin-2 like protein, putative 0.0111 0.1196 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0475 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0002 0.0002
Loa Loa (eye worm) TAR-binding protein 0.0397 0.4802 0.4802
Echinococcus granulosus GPCR family 2 0.0256 0.3022 0.6292
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0256 0.3022 0.3022
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Brugia malayi Latrophilin receptor protein 2 0.0256 0.3022 0.3022
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 0.5
Toxoplasma gondii hypothetical protein 0.0028 0.0151 0.1245
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 0.697
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0834 0.697
Trypanosoma cruzi PAB1-binding protein , putative 0.0111 0.1196 1
Echinococcus granulosus tar DNA binding protein 0.0397 0.4802 1
Schistosoma mansoni tar DNA-binding protein 0.0397 0.4802 0.7093
Schistosoma mansoni hypothetical protein 0.0256 0.3022 0.4463
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0256 0.3022 0.6292
Loa Loa (eye worm) hypothetical protein 0.0809 1 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.005 0.0421 0.0878
Trypanosoma cruzi PAB1-binding protein , putative 0.0111 0.1196 1
Brugia malayi MH1 domain containing protein 0.002 0.0049 0.0049
Brugia malayi MH2 domain containing protein 0.0037 0.0258 0.0258
Loa Loa (eye worm) transcription factor SMAD2 0.0542 0.6629 0.6629
Plasmodium falciparum ataxin-2 like protein, putative 0.0111 0.1196 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 0.5
Loa Loa (eye worm) RNA binding protein 0.0397 0.4802 0.4802
Trypanosoma brucei PAB1-binding protein , putative 0.0111 0.1196 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0002 0.0003
Echinococcus multilocularis GPCR, family 2 0.0256 0.3022 0.6292
Schistosoma mansoni Smad4 0.0037 0.0258 0.0381
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.005 0.0421 0.0622
Schistosoma mansoni tar DNA-binding protein 0.0397 0.4802 0.7093
Loa Loa (eye worm) nuclear factor I 0.002 0.0049 0.0049
Echinococcus multilocularis tar DNA binding protein 0.0397 0.4802 1
Schistosoma mansoni smad1 5 8 and 0.0037 0.0258 0.0381
Schistosoma mansoni smad1 5 8 and 0.0037 0.0258 0.0381
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.0834 0.1232
Schistosoma mansoni hypothetical protein 0.0256 0.3022 0.4463
Schistosoma mansoni tar DNA-binding protein 0.0397 0.4802 0.7093
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 0.5
Schistosoma mansoni smad1 5 8 and 0.0037 0.0258 0.0381
Loa Loa (eye worm) MH1 domain-containing protein 0.0037 0.0258 0.0258
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0475 0.0989
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.005 0.0421 0.0878
Loa Loa (eye worm) hypothetical protein 0.0111 0.1196 0.1196
Loa Loa (eye worm) MH2 domain-containing protein 0.0542 0.6629 0.6629
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0256 0.3022 0.6292
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0002 0.0005
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0037 0.0258 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0397 0.4802 0.7093
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.0834 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0002 0.0005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0256 0.3022 0.6292
Echinococcus granulosus smad 0.0037 0.0258 0.0536
Brugia malayi RNA binding protein 0.0397 0.4802 0.4802
Brugia malayi MH1 domain containing protein 0.0037 0.0258 0.0258
Schistosoma mansoni smad 0.0037 0.0258 0.0381
Brugia malayi MH2 domain containing protein 0.0542 0.6629 0.6629
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0256 0.3022 0.6292
Loa Loa (eye worm) hypothetical protein 0.0083 0.0834 0.0834
Toxoplasma gondii LsmAD domain-containing protein 0.0111 0.1196 1
Echinococcus multilocularis Smad4 0.0037 0.0258 0.0536
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0834 0.697
Loa Loa (eye worm) Smad1 0.0037 0.0258 0.0258
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0475 0.0989
Loa Loa (eye worm) hypothetical protein 0.0256 0.3022 0.3022
Brugia malayi N-terminal motif family protein 0.0181 0.2077 0.2077
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.0834 0.697
Brugia malayi latrophilin 2 splice variant baaae 0.0553 0.677 0.677
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0809 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0397 0.4802 0.4802
Schistosoma mansoni hypothetical protein 0.0256 0.3022 0.4463
Echinococcus multilocularis smad 0.0037 0.0258 0.0536
Loa Loa (eye worm) latrophilin receptor protein 2 0.0256 0.3022 0.3022
Leishmania major hypothetical protein, conserved 0.0111 0.1196 1
Echinococcus granulosus Smad4 0.0037 0.0258 0.0536
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Loa Loa (eye worm) MH2 domain-containing protein 0.0037 0.0258 0.0258
Echinococcus granulosus TGF beta signal transducer SmadC 0.0037 0.0258 0.0536
Echinococcus granulosus mothers against decapentaplegic 5 0.0037 0.0258 0.0536
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.0049
Plasmodium vivax ataxin-2 like protein, putative 0.0111 0.1196 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.0834 0.5
Brugia malayi hypothetical protein 0.0111 0.1196 0.1196
Brugia malayi TAR-binding protein 0.0397 0.4802 0.4802
Loa Loa (eye worm) hypothetical protein 0.0553 0.677 0.677
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.2077 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Schistosoma mansoni hypothetical protein 0.0256 0.3022 0.4463
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0475 0.4744

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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