Detailed information for compound 620681

Basic information

Technical information
  • TDR Targets ID: 620681
  • Name: 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4 -(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfany l]-N-(3-methylphenyl)acetamide
  • MW: 478.524 | Formula: C23H22N6O4S
  • H donors: 3 H acceptors: 7 LogP: 3.4 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1Cc1cc(O)nc(n1)O
  • InChi: 1S/C23H22N6O4S/c1-14-4-3-5-15(10-14)24-21(31)13-34-23-28-27-19(11-16-12-20(30)26-22(32)25-16)29(23)17-6-8-18(33-2)9-7-17/h3-10,12H,11,13H2,1-2H3,(H,24,31)(H2,25,26,30,32)
  • InChiKey: SLMQRXVZZZPEJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide
  • 2-[[5-[(2,6-diketo-3H-pyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide
  • 2-[[5-[(2,6-dioxo-3H-pyrimidin-4-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide

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
Brugia malayi Pre-SET motif family protein 0.0091 0.0106 0.0168
Echinococcus multilocularis lamin dm0 0.0149 0.0381 0.0368
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.067 0.2008
Onchocerca volvulus 0.0216 0.0701 0.1968
Echinococcus multilocularis microtubule associated protein 2 0.2161 1 1
Schistosoma mansoni lamin 0.0149 0.0381 0.0278
Schistosoma mansoni cellular tumor antigen P53 0.0216 0.0701 0.0601
Schistosoma mansoni intermediate filament proteins 0.0149 0.0381 0.0278
Brugia malayi TAR-binding protein 0.0611 0.2593 0.7738
Loa Loa (eye worm) hypothetical protein 0.0209 0.067 0.2008
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0305 0.1131 0.8342
Schistosoma mansoni tar DNA-binding protein 0.0611 0.2593 0.2514
Loa Loa (eye worm) hypothetical protein 0.0091 0.0106 0.0317
Leishmania major trypanothione reductase 0.0134 0.031 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0305 0.1131 0.8342
Trichomonas vaginalis set domain proteins, putative 0.0723 0.3127 0.5
Brugia malayi intermediate filament protein 0.0149 0.0381 0.1004
Loa Loa (eye worm) thioredoxin reductase 0.0134 0.031 0.093
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.0354 0.0922
Echinococcus granulosus thioredoxin glutathione reductase 0.0134 0.0313 0.03
Onchocerca volvulus 0.0149 0.0381 0.091
Plasmodium vivax glutathione reductase, putative 0.0134 0.031 1
Toxoplasma gondii thioredoxin reductase 0.0134 0.031 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0091 0.0106 0.0093
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.034 0.1294 1
Trypanosoma brucei trypanothione reductase 0.0134 0.031 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0149 0.0381 0.1004
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0305 0.1131 0.8342
Echinococcus multilocularis tumor protein p63 0.1473 0.671 0.6706
Onchocerca volvulus 0.0149 0.0381 0.091
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0635 0.2708 0.8115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.067 0.1885
Loa Loa (eye worm) hypothetical protein 0.0072 0.0013 0.0039
Echinococcus multilocularis tar DNA binding protein 0.0611 0.2593 0.2584
Loa Loa (eye worm) TAR-binding protein 0.0611 0.2593 0.7773
Schistosoma mansoni tar DNA-binding protein 0.0611 0.2593 0.2514
Echinococcus granulosus lamin 0.0149 0.0381 0.0368
Loa Loa (eye worm) glutathione reductase 0.0134 0.031 0.093
Schistosoma mansoni hypothetical protein 0.0143 0.0354 0.025
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.067 0.1885
Echinococcus granulosus tumor protein p63 0.1473 0.671 0.6706
Onchocerca volvulus 0.0723 0.3127 1
Brugia malayi Thioredoxin reductase 0.0134 0.031 0.079
Trypanosoma cruzi trypanothione reductase, putative 0.0134 0.031 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0134 0.0313 0.03
Schistosoma mansoni tar DNA-binding protein 0.0611 0.2593 0.2514
Echinococcus multilocularis lamin 0.0149 0.0381 0.0368
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0305 0.1131 0.8342
Loa Loa (eye worm) RNA binding protein 0.0611 0.2593 0.7773
Loa Loa (eye worm) hypothetical protein 0.0216 0.0701 0.21
Loa Loa (eye worm) MH2 domain-containing protein 0.0767 0.3336 1
Brugia malayi RNA binding protein 0.0611 0.2593 0.7738
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0091 0.0106 0.0093
Mycobacterium tuberculosis Probable oxidoreductase 0.034 0.1294 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.008 0.0051 0.0152
Brugia malayi glutathione reductase 0.0134 0.031 0.079
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0088 0.009 0.0077
Echinococcus granulosus lamin dm0 0.0149 0.0381 0.0368
Loa Loa (eye worm) hypothetical protein 0.0143 0.0354 0.106
Mycobacterium tuberculosis Probable dehydrogenase 0.0305 0.1131 0.8342
Loa Loa (eye worm) intermediate filament protein 0.0149 0.0381 0.1141
Plasmodium falciparum thioredoxin reductase 0.0134 0.031 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.0381 0.1141
Schistosoma mansoni tar DNA-binding protein 0.0611 0.2593 0.2514
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0611 0.2593 0.7773
Echinococcus granulosus histone lysine methyltransferase setb 0.0091 0.0106 0.0093
Mycobacterium tuberculosis Probable reductase 0.0305 0.1131 0.8342
Echinococcus granulosus intermediate filament protein 0.0149 0.0381 0.0368
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.034 0.1294 1
Brugia malayi RNA recognition motif domain containing protein 0.0611 0.2593 0.7738
Brugia malayi Pre-SET motif family protein 0.0635 0.2708 0.8086
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.034 0.1294 1
Plasmodium falciparum glutathione reductase 0.0134 0.031 0.5
Brugia malayi MH2 domain containing protein 0.0767 0.3336 1
Echinococcus granulosus tar DNA binding protein 0.0611 0.2593 0.2584
Schistosoma mansoni microtubule-associated protein tau 0.2161 1 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0368 0.1102
Schistosoma mansoni tar DNA-binding protein 0.0611 0.2593 0.2514
Schistosoma mansoni lamin 0.0149 0.0381 0.0278
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0149 0.0381 0.1141
Plasmodium vivax thioredoxin reductase, putative 0.0134 0.031 1
Loa Loa (eye worm) transcription factor SMAD2 0.0767 0.3336 1
Echinococcus multilocularis musashi 0.0149 0.0381 0.0368

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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