Detailed information for compound 1232370

Basic information

Technical information
  • TDR Targets ID: 1232370
  • Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl- 1,3-dimethylpyrimidine-2,4-dione
  • MW: 382.41 | Formula: C16H19FN4O4S
  • H donors: 0 H acceptors: 4 LogP: 0.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cn(C)c(=O)n(c1=O)C
  • InChi: 1S/C16H19FN4O4S/c1-18-11-14(15(22)19(2)16(18)23)26(24,25)21-9-7-20(8-10-21)13-5-3-12(17)4-6-13/h3-6,11H,7-10H2,1-2H3
  • InChiKey: UKCHFACKSWAWST-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione
  • 5-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-1,3-dimethylpyrimidine-2,4-dione
  • 5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethyl-pyrimidine-2,4-quinone
  • ZINC04271542
  • SMR000127246
  • MLS000529737

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 alpha-amylase 0.0075 0.0031 0.0036
Onchocerca volvulus 0.0292 0.0494 0.0569
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0005 0.0006
Echinococcus granulosus beta galactosidase 0.1038 0.2088 0.2084
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0407 0.074 0.0395
Loa Loa (eye worm) hypothetical protein 0.0191 0.0279 0.0276
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0075 0.0031 0.0026
Trichomonas vaginalis sucrase-isomaltase, putative 0.1247 0.2536 0.8733
Echinococcus multilocularis lysosomal alpha glucosidase 0.4741 1 1
Treponema pallidum hypothetical protein 0.0101 0.0087 0.5
Mycobacterium ulcerans alpha-mannosidase 0.0207 0.0315 0.0476
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0005 0.0006
Trichomonas vaginalis maltase-glucoamylase, putative 0.1416 0.2897 1
Echinococcus multilocularis glycogen debranching enzyme 0.0407 0.074 0.0736
Echinococcus multilocularis neutral alpha glucosidase AB 0.1416 0.2897 0.2893
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Onchocerca volvulus 0.0292 0.0494 0.0569
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1416 0.2897 0.2895
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.2867 0.5997 0.5995
Echinococcus multilocularis lysosomal alpha glucosidase 0.4741 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0087 0.0084
Trichomonas vaginalis alpha-mannosidase, putative 0.0207 0.0315 0.0945
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0622 0.12 0.1196
Brugia malayi Trehalase family protein 0.0292 0.0494 0.049
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0207 0.0315 0.0312
Loa Loa (eye worm) hypothetical protein 0.1038 0.2088 0.2086
Loa Loa (eye worm) hypothetical protein 0.0101 0.0087 0.0084
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0407 0.074 1
Schistosoma mansoni hypothetical protein 0.0122 0.0132 0.0153
Loa Loa (eye worm) hypothetical protein 0.0096 0.0077 0.0074
Trichomonas vaginalis glucosylceramidase, putative 0.0772 0.152 0.5171
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0365 0.0652 0.0755
Loa Loa (eye worm) hypothetical protein 0.0606 0.1166 0.1164
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0075 0.0031 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.1416 0.2897 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0096 0.0077 0.0072
Trichomonas vaginalis alpha-glucosidase, putative 0.1416 0.2897 1
Schistosoma mansoni mannosidase alpha class 2a 0.0096 0.0077 0.0089
Loa Loa (eye worm) hypothetical protein 0.0101 0.0087 0.0084
Echinococcus granulosus ceramide glucosyltransferase 0.0469 0.0873 0.0869
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0606 0.1166 0.3962
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Brugia malayi manba-prov protein 0.0194 0.0286 0.0281
Brugia malayi hypothetical protein 0.0292 0.0494 0.049
Brugia malayi Ceramide glucosyltransferase 0.0469 0.0873 0.0869
Loa Loa (eye worm) hypothetical protein 0.0292 0.0494 0.0492
Loa Loa (eye worm) alpha amylase 0.0075 0.0031 0.0028
Trichomonas vaginalis alpha-glucosidase, putative 0.1416 0.2897 1
Echinococcus multilocularis alpha glucosidase 0.0075 0.0031 0.0026
Echinococcus granulosus lysosomal alpha mannosidase 0.0096 0.0077 0.0072
Brugia malayi Glycosyl hydrolases family 38 protein 0.0207 0.0315 0.031
Loa Loa (eye worm) amylo-alpha-1,6-glucosidase 0.0198 0.0294 0.0292
Echinococcus multilocularis alpha mannosidase 2 0.0096 0.0077 0.0072
Brugia malayi Glycosyl hydrolases family 31 protein 0.0606 0.1166 0.1162
Echinococcus multilocularis ceramide glucosyltransferase 0.0469 0.0873 0.0869
Schistosoma mansoni alpha-amylase 0.0075 0.0031 0.0036
Schistosoma mansoni alpha glucosidase 0.1416 0.2897 0.3357
Schistosoma mansoni alpha-amylase 0.0075 0.0031 0.0036
Loa Loa (eye worm) hypothetical protein 0.0292 0.0494 0.0492
Loa Loa (eye worm) hypothetical protein 0.1038 0.2088 0.2086
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0772 0.152 0.1518
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0075 0.0031 0.0026
Brugia malayi hypothetical protein 0.0091 0.0066 0.0061
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0005 0.0006
Brugia malayi hypothetical protein 0.0101 0.0087 0.0082
Trichomonas vaginalis beta-glucosidase, putative 0.1267 0.2578 0.8883
Brugia malayi trehalase I 0.0101 0.0087 0.0082
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0122 0.0132 0.0127
Onchocerca volvulus 0.3531 0.7416 1
Echinococcus multilocularis bile acid beta glucosidase 0.0622 0.12 0.1196
Loa Loa (eye worm) trehalase 0.0292 0.0494 0.0492
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0297 0.0506 0.1617
Loa Loa (eye worm) hypothetical protein 0.0101 0.0087 0.0084
Loa Loa (eye worm) hypothetical protein 0.0407 0.074 0.0738
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0365 0.0652 0.0647
Trichomonas vaginalis glucosylceramidase, putative 0.0534 0.1011 0.3387
Brugia malayi Beta-glucuronidase precursor 0.0113 0.0112 0.0107
Echinococcus multilocularis dnaJ subfamily B 0.0404 0.0735 0.073
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0207 0.0315 0.0945
Trichomonas vaginalis alpha-glucosidase, putative 0.0606 0.1166 0.3931
Echinococcus granulosus neutral alpha glucosidase AB 0.1416 0.2897 0.2893
Loa Loa (eye worm) beta-glucuronidase 0.0113 0.0112 0.0109
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1416 0.2897 1
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Echinococcus multilocularis lysosomal alpha mannosidase 0.0096 0.0077 0.0072
Echinococcus granulosus beta mannosidase 0.0081 0.0045 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.0772 0.152 0.5171
Schistosoma mansoni thyroid hormone receptor 0.014 0.0171 0.0198
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.0317 0.0954
Brugia malayi Trehalase family protein 0.0101 0.0087 0.0082
Brugia malayi Alpha-L-fucosidase family protein 0.219 0.455 0.4547
Trichomonas vaginalis glycoside hydrolase, putative 0.0235 0.0372 0.1147
Schistosoma mansoni alpha-glucosidase 0.41 0.8631 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0606 0.1166 0.3931
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0005 0.0002
Brugia malayi Trehalase family protein 0.0292 0.0494 0.049
Trichomonas vaginalis alpha-glucosidase, putative 0.0606 0.1166 0.3931
Brugia malayi Glycosyl hydrolases family 38 protein 0.0096 0.0077 0.0072
Schistosoma mansoni alpha-amylase 0.0075 0.0031 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0096 0.0077 0.0214
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0606 0.1166 0.3863
Trypanosoma brucei glycosyl hydrolase-like protein 0.0606 0.1166 0.3995
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0005 0.0002
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.1416 0.2897 1
Trichomonas vaginalis glucosylceramidase, putative 0.0534 0.1011 0.3387
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0407 0.074 0.0736
Trichomonas vaginalis conserved hypothetical protein 0.0292 0.0494 0.1575
Schistosoma mansoni hypothetical protein 0.0523 0.0989 0.1146
Brugia malayi Glycosyl hydrolases family 31 protein 0.1416 0.2897 0.2893
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0469 0.0873 0.1085
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0772 0.152 0.1516
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0365 0.0652 0.0647
Echinococcus granulosus glycogen debranching enzyme 0.0407 0.074 0.0736
Echinococcus multilocularis beta galactosidase 0.1038 0.2088 0.2084
Onchocerca volvulus Glucosylceramidase homolog 0.0506 0.0953 0.1194
Mycobacterium tuberculosis Trehalose synthase TreS 0.0075 0.0031 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1247 0.2536 0.8739
Schistosoma mansoni hypothetical protein 0.0294 0.0499 0.0578
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.014 0.0171 0.044
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0407 0.074 0.2438
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1416 0.2897 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.2867 0.5997 0.5995
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0606 0.1166 0.3931
Brugia malayi Trehalase family protein 0.0101 0.0087 0.0082
Trichomonas vaginalis glycoside hydrolases, putative 0.1267 0.2578 0.8883
Schistosoma mansoni alpha-amylase 0.0075 0.0031 0.0036
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0096 0.0077 0.0089
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0365 0.0652 0.0755
Loa Loa (eye worm) alpha-L-fucosidase 0.219 0.455 0.4548
Trichomonas vaginalis alpha-glucosidase, putative 0.0606 0.1166 0.3931
Trichomonas vaginalis alpha-glucosidase, putative 0.0606 0.1166 0.3931
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0146 0.0183 0.0484
Trichomonas vaginalis glucosylceramidase, putative 0.0772 0.152 0.5171
Brugia malayi Melibiase family protein 0.0297 0.0506 0.0501
Brugia malayi Trehalase protein 5 0.0101 0.0087 0.0082
Loa Loa (eye worm) trehalase 0.0101 0.0087 0.0084
Schistosoma mansoni alpha-l-fucosidase 0.219 0.455 0.5272
Echinococcus granulosus alpha glucosidase 0.0075 0.0031 0.0026
Loa Loa (eye worm) trehalase 0.0292 0.0494 0.0492
Mycobacterium ulcerans alpha-L-fucosidase 0.2867 0.5997 1
Loa Loa (eye worm) trehalase 0.0101 0.0087 0.0084
Brugia malayi Trehalase family protein 0.0292 0.0494 0.049
Schistosoma mansoni ceramide glucosyltransferase 0.0469 0.0873 0.1012
Entamoeba histolytica beta-galactosidase, putative 0.0122 0.0132 0.0353
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.0149 0.0144
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0606 0.1166 0.3931
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0365 0.0652 0.0647
Loa Loa (eye worm) hypothetical protein 0.042 0.0768 0.0766
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0317 0.0549 0.5
Schistosoma mansoni hypothetical protein 0.0404 0.0735 0.0851
Brugia malayi trehalase 0.0101 0.0087 0.0082
Onchocerca volvulus 0.0292 0.0494 0.0569
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.0149 0.0144
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0606 0.1166 0.1484
Brugia malayi hypothetical protein 0.0101 0.0087 0.0082
Loa Loa (eye worm) hypothetical protein 0.0292 0.0494 0.0492
Trichomonas vaginalis alpha-glucosidase, putative 0.1416 0.2897 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1416 0.2897 1
Loa Loa (eye worm) manba-prov protein 0.0081 0.0045 0.0042
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0062 0.0003 0.0003
Trichomonas vaginalis trehalase, putative 0.0292 0.0494 0.1575
Trichomonas vaginalis glucosylceramidase, putative 0.0772 0.152 0.5171
Plasmodium vivax hypothetical protein, conserved 0.0317 0.0549 0.5
Brugia malayi Trehalase family protein 0.0292 0.0494 0.049
Trichomonas vaginalis alpha-glucosidase, putative 0.0606 0.1166 0.3931
Echinococcus multilocularis thyroid hormone receptor alpha 0.014 0.0171 0.0166
Loa Loa (eye worm) RNA binding protein 0.0063 0.0005 0.0002
Loa Loa (eye worm) hypothetical protein 0.0292 0.0494 0.0492
Loa Loa (eye worm) trehalase 0.0292 0.0494 0.0492
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0606 0.1166 0.3863
Loa Loa (eye worm) hypothetical protein 0.0297 0.0506 0.0504
Onchocerca volvulus 0.0292 0.0494 0.0569
Onchocerca volvulus Trehalase homolog 0.0292 0.0494 0.0569
Schistosoma mansoni hypothetical protein 0.013 0.0149 0.0172
Loa Loa (eye worm) hypothetical protein 0.0096 0.0077 0.0074
Leishmania major alpha glucosidase II subunit, putative 0.1416 0.2897 1
Schistosoma mansoni thyroid hormone receptor 0.014 0.0171 0.0198
Loa Loa (eye worm) ceramide glucosyltransferase 0.0469 0.0873 0.0871
Onchocerca volvulus 0.0292 0.0494 0.0569
Schistosoma mansoni bile acid beta-glucosidase-related 0.0622 0.12 0.139
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.4741 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0005 0.0006
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0122 0.0132 0.0129
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0407 0.074 0.2438
Echinococcus granulosus lysosomal alpha glucosidase 0.4741 1 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0961 0.1924 0.6588
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0297 0.0506 0.0587
Trichomonas vaginalis glucosylceramidase, putative 0.0772 0.152 0.5171
Schistosoma mansoni alpha-glucosidase 0.41 0.8631 1
Schistosoma mansoni beta-mannosidase 0.0081 0.0045 0.0052
Echinococcus granulosus dnaJ subfamily B 0.0404 0.0735 0.073
Schistosoma mansoni ceramide glucosyltransferase 0.0469 0.0873 0.1012
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0096 0.0077 0.0089
Echinococcus granulosus bile acid beta glucosidase 0.0622 0.12 0.1196
Loa Loa (eye worm) alpha amylase 0.0075 0.0031 0.0028
Entamoeba histolytica glycogen debranching enzyme, putative 0.0407 0.074 0.2476
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0075 0.0031 0.5
Brugia malayi hypothetical protein 0.0101 0.0087 0.0082
Schistosoma mansoni beta-galactosidase 0.1038 0.2088 0.242
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Trichomonas vaginalis alpha-glucosidase, putative 0.1416 0.2897 1
Trichomonas vaginalis beta-galactosidase, putative 0.0235 0.0372 0.1147
Trypanosoma brucei glucosidase, putative 0.1416 0.2897 1
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Echinococcus multilocularis beta mannosidase 0.0081 0.0045 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.0772 0.152 0.5171
Trichomonas vaginalis glucosylceramidase, putative 0.0506 0.0953 0.3183
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0365 0.0652 0.0755
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0961 0.1924 0.6588
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0297 0.0506 0.0587
Trypanosoma cruzi hypothetical protein, conserved 0.1416 0.2897 1
Trypanosoma cruzi hypothetical protein, conserved 0.1416 0.2897 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.0622 0.12 0.139
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0365 0.0652 0.0755
Loa Loa (eye worm) TRE-2 protein 0.0292 0.0494 0.0492
Loa Loa (eye worm) TRE-1 protein 0.0292 0.0494 0.0492
Echinococcus granulosus non lysosomal glucosylceramidase 0.0622 0.12 0.1196
Trichomonas vaginalis conserved hypothetical protein 0.0235 0.0372 0.1147
Brugia malayi lysosomal alpha-mannosidase 0.0096 0.0077 0.0072
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0292 0.0494 0.0492

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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