Detailed information for compound 620635

Basic information

Technical information
  • TDR Targets ID: 620635
  • Name: 6-[[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2, 4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dion e
  • MW: 345.376 | Formula: C15H15N5O3S
  • H donors: 2 H acceptors: 6 LogP: 2.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1c(nnc1SC)Cc1cc(O)nc(n1)O
  • InChi: 1S/C15H15N5O3S/c1-23-11-5-3-4-10(8-11)20-12(18-19-15(20)24-2)6-9-7-13(21)17-14(22)16-9/h3-5,7-8H,6H2,1-2H3,(H2,16,17,21,22)
  • InChiKey: XRWKRNZGRIMRIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
  • 6-[[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]uracil
  • ZINC04061396

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 tar DNA binding protein 0.0716 0.4133 0.4131
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.009 0.0087
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0302 0.1654 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0046 0.0116 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0096 0.0419 0.1013
Onchocerca volvulus 0.0248 0.1327 1
Brugia malayi glutathione reductase 0.0133 0.0635 0.1531
Schistosoma mansoni hypothetical protein 0.0041 0.0089 0.0104
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0096 0.0419 0.0416
Brugia malayi MH2 domain containing protein 0.0042 0.009 0.0212
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.0043 0.0096
Brugia malayi Thioredoxin reductase 0.0133 0.0635 0.1531
Trypanosoma brucei trypanothione reductase 0.0133 0.0635 1
Plasmodium falciparum glutathione reductase 0.0133 0.0635 1
Schistosoma mansoni smad1 5 8 and 0.0042 0.009 0.0106
Brugia malayi TAR-binding protein 0.0716 0.4133 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0336 0.1856 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.009 0.0219
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0046 0.0116 0.5
Schistosoma mansoni hypothetical protein 0.0096 0.0419 0.0506
Schistosoma mansoni smad 0.0042 0.009 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0305 0.1668 0.4032
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0089 0.0086
Echinococcus multilocularis Smad4 0.0042 0.009 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0716 0.4133 0.5029
Plasmodium vivax glutathione reductase, putative 0.0133 0.0635 1
Loa Loa (eye worm) thioredoxin reductase 0.0133 0.0635 0.1537
Treponema pallidum NADH oxidase 0.0046 0.0116 0.5
Schistosoma mansoni tar DNA-binding protein 0.0716 0.4133 0.5029
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0133 0.0635 0.2985
Schistosoma mansoni hypothetical protein 0.0096 0.0419 0.0506
Trichomonas vaginalis glutathione reductase, putative 0.0046 0.0116 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0133 0.0635 1
Brugia malayi RNA recognition motif domain containing protein 0.0716 0.4133 1
Brugia malayi Latrophilin receptor protein 2 0.0096 0.0419 0.1007
Echinococcus multilocularis GPCR, family 2 0.0096 0.0419 0.0416
Toxoplasma gondii thioredoxin reductase 0.0133 0.0635 1
Schistosoma mansoni hypothetical protein 0.0096 0.0419 0.0506
Schistosoma mansoni hypothetical protein 0.0096 0.0419 0.0506
Loa Loa (eye worm) TAR-binding protein 0.0716 0.4133 1
Brugia malayi hypothetical protein 0.0041 0.0089 0.0208
Echinococcus granulosus Smad4 0.0042 0.009 0.0087
Loa Loa (eye worm) hypothetical protein 0.0248 0.1327 0.3212
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.009 0.0106
Mycobacterium tuberculosis Probable reductase 0.0302 0.1654 0.8837
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.0043 0.0096
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0046 0.0116 0.0113
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0336 0.1856 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0302 0.1654 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0046 0.0116 0.0273
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0046 0.0116 0.0113
Entamoeba histolytica hypothetical protein 0.0041 0.0089 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0248 0.1327 0.1613
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0046 0.0116 0.5
Loa Loa (eye worm) RNA binding protein 0.0716 0.4133 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0046 0.0116 0.0137
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0046 0.0116 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0612 0.3508 0.8489
Schistosoma mansoni microtubule-associated protein tau 0.1397 0.8215 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0096 0.0419 0.1007
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0046 0.0116 0.5
Brugia malayi MH1 domain containing protein 0.0042 0.009 0.0212
Brugia malayi MH1 domain containing protein 0.0042 0.009 0.0212
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0096 0.0419 0.0416
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0336 0.1856 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0305 0.1668 0.4032
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.009 0.0219
Echinococcus multilocularis smad 0.0042 0.009 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0716 0.4133 0.5029
Schistosoma mansoni hypothetical protein 0.0208 0.109 0.1324
Schistosoma mansoni Smad4 0.0042 0.009 0.0106
Plasmodium falciparum thioredoxin reductase 0.0133 0.0635 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0336 0.1856 1
Loa Loa (eye worm) hypothetical protein 0.0305 0.1668 0.4037
Entamoeba histolytica hypothetical protein 0.0041 0.0089 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.009 0.0087
Echinococcus multilocularis microtubule associated protein 2 0.1397 0.8215 0.8215
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0046 0.0116 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0096 0.0419 0.0416
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0302 0.1654 0.8837
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0305 0.1668 0.4037
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0302 0.1654 0.8837
Mycobacterium tuberculosis Probable dehydrogenase 0.0302 0.1654 0.8837
Echinococcus multilocularis tar DNA binding protein 0.0716 0.4133 0.4131
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0003 0.0007
Echinococcus granulosus thioredoxin glutathione reductase 0.0133 0.0638 0.0636
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0089 0.0086
Schistosoma mansoni tar DNA-binding protein 0.0716 0.4133 0.5029
Giardia lamblia NADH oxidase lateral transfer candidate 0.0046 0.0116 0.5
Leishmania major trypanothione reductase 0.0133 0.0635 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0046 0.0116 0.5
Loa Loa (eye worm) Smad1 0.0042 0.009 0.0219
Brugia malayi MH2 domain containing protein 0.0612 0.3508 0.8488
Echinococcus granulosus GPCR family 2 0.0096 0.0419 0.0416
Entamoeba histolytica hypothetical protein 0.0041 0.0089 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0612 0.3508 0.8489
Brugia malayi MH2 domain containing protein 0.0042 0.009 0.0212
Loa Loa (eye worm) glutathione reductase 0.0133 0.0635 0.1537
Loa Loa (eye worm) hypothetical protein 0.0208 0.109 0.2637
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0096 0.0419 0.0416
Entamoeba histolytica hypothetical protein 0.0041 0.0089 0.5
Schistosoma mansoni smad1 5 8 and 0.0042 0.009 0.0106
Loa Loa (eye worm) hypothetical protein 0.0096 0.0419 0.1013
Echinococcus multilocularis thioredoxin glutathione reductase 0.0133 0.0638 0.0636
Brugia malayi latrophilin 2 splice variant baaae 0.0208 0.109 0.2632
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0089 0.0104
Schistosoma mansoni smad1 5 8 and 0.0042 0.009 0.0106
Brugia malayi Smad1 0.0042 0.009 0.0212
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0716 0.4133 1
Schistosoma mansoni tar DNA-binding protein 0.0716 0.4133 0.5029
Trypanosoma cruzi trypanothione reductase, putative 0.0133 0.0635 1
Echinococcus granulosus microtubule associated protein 2 0.1397 0.8215 0.8215
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0003 0.0007
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.009 0.0087
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.009 0.0087
Echinococcus multilocularis tumor protein p63 0.1694 1 1
Echinococcus granulosus smad 0.0042 0.009 0.0087
Brugia malayi RNA binding protein 0.0716 0.4133 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0003 0.0007

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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