Detailed information for compound 816883

Basic information

Technical information
  • TDR Targets ID: 816883
  • Name: 6-hydroxy-5-[(4-propan-2-yloxyphenyl)methyl]- 2-sulfanylidene-1H-pyrimidin-4-one
  • MW: 292.353 | Formula: C14H16N2O3S
  • H donors: 2 H acceptors: 4 LogP: 3.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)Cc1c(O)nc(nc1O)S)C
  • InChi: 1S/C14H16N2O3S/c1-8(2)19-10-5-3-9(4-6-10)7-11-12(17)15-14(20)16-13(11)18/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,20)
  • InChiKey: BTQLLBGHDBVDII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-hydroxy-5-[(4-isopropoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-4-one
  • 6-hydroxy-5-(4-isopropoxybenzyl)-2-thioxo-1H-pyrimidin-4-one
  • ZINC05062143
  • BIM-0015813.P001
  • CBMicro_015934
  • Oprea1_123423

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
Echinococcus granulosus carbonic anhydrase II 0.2439 0.4385 1
Schistosoma mansoni carbonic anhydrase-related 0.1002 0.1769 0.4034
Mycobacterium ulcerans hypothetical protein 0.0037 0.0012 0.0022
Entamoeba histolytica carbonic anhydrase, putative 0.1488 0.2653 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0028
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0012 0.0028
Mycobacterium ulcerans carbonic anhydrase 0.1488 0.2653 0.9547
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0021 0.0033
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0012 0.0014
Echinococcus multilocularis carbonic anhydrase 0.1002 0.1769 0.4034
Brugia malayi beta-lactamase family protein 0.0037 0.0012 0.0012
Onchocerca volvulus 0.0243 0.0388 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0012 0.0022
Loa Loa (eye worm) hypothetical protein 0.1002 0.1769 0.4034
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0012 0.0028
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0001 0.0003
Trichomonas vaginalis set domain proteins, putative 0.0243 0.0388 0.1359
Brugia malayi Pre-SET motif family protein 0.0214 0.0335 0.0335
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0069 0.0072 0.0215
Onchocerca volvulus 0.0031 0.0001 0.0031
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0028
Leishmania major carbonic anhydrase family protein, putative 0.1488 0.2653 0.6039
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0242 0.0387 0.2135
Leishmania major carbonic anhydrase-like protein 0.2439 0.4385 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0012 0.0028
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1002 0.1769 0.4034
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0012 0.0012
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.0373 0.206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0001 0.0003
Mycobacterium ulcerans carbonic anhydrase 0.1556 0.2778 1
Loa Loa (eye worm) carbonic anhydrase 3 0.2439 0.4385 1
Schistosoma mansoni hypothetical protein 0.0037 0.0012 0.0028
Mycobacterium leprae Probable transmembrane transport protein 0.0242 0.0387 0.1417
Plasmodium vivax sulfate transporter, putative 0.0033 0.0006 0.4492
Toxoplasma gondii ABC1 family protein 0.0037 0.0012 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.1556 0.2778 1
Schistosoma mansoni carbonic anhydrase-related 0.1002 0.1769 0.4034
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.2439 0.4385 0.4385
Onchocerca volvulus Putative sulfate transporter 0.021 0.0327 0.8429
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.2439 0.4385 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.2439 0.4385 0.4385
Entamoeba histolytica ankyrin, putative 0.0072 0.0077 0.0244
Mycobacterium ulcerans hypothetical protein 0.0041 0.0021 0.0053
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0001 0.0003
Mycobacterium ulcerans transferase 0.0069 0.0072 0.0237
Schistosoma mansoni hypothetical protein 0.0173 0.0261 0.0594
Onchocerca volvulus 0.0037 0.0012 0.0318
Schistosoma mansoni carbonic anhydrase 0.1002 0.1769 0.4034
Echinococcus multilocularis carbonic anhydrase 0.1002 0.1769 0.4034
Loa Loa (eye worm) hypothetical protein 0.1002 0.1769 0.4034
Onchocerca volvulus 0.0037 0.0012 0.0318
Echinococcus multilocularis carbonic anhydrase II 0.2439 0.4385 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0012 0.0028
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0021 0.0033
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0931 0.1639 0.9284
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0012 0.0028
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0799 0.14 0.7922
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1002 0.1769 0.1769
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2439 0.4385 1
Onchocerca volvulus 0.0037 0.0012 0.0318
Entamoeba histolytica acetyltransferase, putative 0.0072 0.0077 0.0244
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1002 0.1769 0.1769
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0012 0.0028
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0999 0.1764 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0021 0.0033
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0028
Onchocerca volvulus 0.021 0.0327 0.8429
Leishmania major hypothetical protein, conserved 0.0041 0.0021 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0001 0.0003
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0012 0.0028
Schistosoma mansoni carbonic anhydrase-related 0.1002 0.1769 0.4034
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0033 0.0006 0.0028
Mycobacterium ulcerans lipase LipD 0.0037 0.0012 0.0022
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0012 0.0022
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0012 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0001 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0012 0.0014
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2439 0.4385 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0012 0.0014
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1002 0.1769 0.1769
Echinococcus granulosus geminin 0.0173 0.0261 0.0594
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0028
Echinococcus granulosus carbonic anhydrase 0.1002 0.1769 0.4034
Onchocerca volvulus 0.0069 0.0072 0.1851
Mycobacterium tuberculosis Possible siderophore-binding protein 0.0041 0.0021 0.0048
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0001 0.0003
Schistosoma mansoni hypothetical protein 0.1002 0.1769 0.4034
Trichomonas vaginalis conserved hypothetical protein 0.1556 0.2778 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0028
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0012 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0001 0.0003
Loa Loa (eye worm) hypothetical protein 0.2217 0.3981 0.9079
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0072 0.0077 1
Echinococcus granulosus dynactin 5 p25 0.0072 0.0077 0.0175
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0072 0.0077 1
Brugia malayi beta-lactamase family protein 0.0037 0.0012 0.0012
Plasmodium falciparum carbonic anhydrase 0.1002 0.1769 1
Echinococcus multilocularis geminin 0.0173 0.0261 0.0594
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0012 0.0028
Brugia malayi beta-lactamase 0.0037 0.0012 0.0012
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.2439 0.4385 1
Schistosoma mansoni hypothetical protein 0.0173 0.0261 0.0594
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.2439 0.4385 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.1002 0.1769 0.1769
Mycobacterium ulcerans beta-lactamase 0.0037 0.0012 0.0022
Brugia malayi Pre-SET motif family protein 0.0031 0.0001 0.0001
Brugia malayi hypothetical protein 0.0037 0.0012 0.0012
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.0335 0.0763
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0072 0.0215
Echinococcus multilocularis carbonic anhydrase 0.1002 0.1769 0.4034
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1002 0.1769 0.1769
Echinococcus granulosus carbonic anhydrase 0.1002 0.1769 0.4034
Schistosoma mansoni carbonic anhydrase 0.1488 0.2653 0.605
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0041 0.0021 0.0032
Echinococcus granulosus carbonic anhydrase 0.1002 0.1769 0.4034
Chlamydia trachomatis sulfate transporter 0.0033 0.0006 0.5
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0072 0.0077 0.0368
Loa Loa (eye worm) hypothetical protein 0.0037 0.0012 0.0028
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0266 0.043 0.0981
Toxoplasma gondii hypothetical protein 0.1002 0.1769 1
Trypanosoma brucei carbonic anhydrase-like protein 0.2439 0.4385 1
Mycobacterium leprae PROBABLE TRANSFERASE 0.0069 0.0072 0.0225
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0001 0.0003
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1488 0.2653 1
Brugia malayi follicle stimulating hormone receptor 0.0266 0.043 0.043

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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