Detailed information for compound 1365256

Basic information

Technical information
  • TDR Targets ID: 1365256
  • Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4 -morpholin-4-ylsulfonylphenyl)acetamide
  • MW: 472.6 | Formula: C24H32N4O4S
  • H donors: 1 H acceptors: 3 LogP: 2.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)CN1CCN(CC1)c1cccc(c1C)C
  • InChi: 1S/C24H32N4O4S/c1-19-4-3-5-23(20(19)2)27-12-10-26(11-13-27)18-24(29)25-21-6-8-22(9-7-21)33(30,31)28-14-16-32-17-15-28/h3-9H,10-18H2,1-2H3,(H,25,29)
  • InChiKey: FPYKNVAVBNYUAS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-morpholinosulfonylphenyl)acetamide
  • 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(4-morpholinosulfonylphenyl)acetamide
  • 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0073 0.0412
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0111 0.0789 0.1995
Schistosoma mansoni ap endonuclease 0.0019 0.0073 0.0073
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0004 0.0005
Loa Loa (eye worm) 6-phosphofructokinase 0.0111 0.0789 0.4432
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.03 0.1686
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0157 0.2335
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0004 0.0004
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.0879 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0073 0.0576
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.0783 0.8837
Onchocerca volvulus Putative thymidylate kinase 0.0074 0.0497 1
Trypanosoma cruzi thymidine kinase, putative 0.0511 0.3899 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0138 0.0777
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0054 0.0102
Echinococcus granulosus thymidylate kinase 0.0074 0.0497 0.3902
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0157 0.1406
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0073 0.0234
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0157 0.0368
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0004 0.0004
Loa Loa (eye worm) phosphofructokinase 0.0111 0.0789 0.4432
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.022 0.1235
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.0783 0.8837
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0004 0.0004
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1045 0.587
Trichomonas vaginalis thymidine kinase, putative 0.0511 0.3899 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0073 0.0097
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0157 0.2596
Chlamydia trachomatis thymidylate kinase 0.0074 0.0497 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0004 0.0032
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0054 0.0072
Schistosoma mansoni hypothetical protein 0.0038 0.022 0.022
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.022 0.1728
Onchocerca volvulus 0.0028 0.0138 0.2725
Schistosoma mansoni phosphoglucomutase 0.0066 0.0437 0.0437
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0235 0.1756 0.1756
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0019 0.0109
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0157 0.2335
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0004 0.0032
Leishmania major hypothetical protein, conserved 0.0029 0.0149 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0004 0.0023
Schistosoma mansoni hypothetical protein 0.0082 0.0564 0.0564
Echinococcus granulosus lamin dm0 0.0028 0.0138 0.1087
Schistosoma mansoni thymidylate kinase 0.0074 0.0497 0.0497
Echinococcus multilocularis GPCR, family 2 0.0038 0.022 0.0292
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0437 0.1087
Leishmania major thymidylate kinase-like protein 0.0074 0.0497 0.1242
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0157 0.0368
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0073 0.0152
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0027 0.0036
Echinococcus granulosus GPCR family 2 0.0038 0.022 0.1728
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0111 0.0789 0.7663
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0039 0.0217
Schistosoma mansoni 6-phosphofructokinase 0.0111 0.0789 0.0789
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0054 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0004 0.0023
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0066 0.0437 0.8641
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0054 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0004 0.0023
Trypanosoma cruzi thymidylate kinase, putative 0.0074 0.0497 0.1242
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0073 0.0262
Giardia lamblia Thymidine kinase 0.0511 0.3899 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0004 0.0005
Trichomonas vaginalis thymidylate kinase, putative 0.0074 0.0497 0.1242
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0789 0.1995
Trypanosoma brucei ingi protein (ORF1) 0.0075 0.0505 0.1263
Schistosoma mansoni phosphoglucomutase 0.0066 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0004 0.0005
Plasmodium falciparum thioredoxin reductase 0.0048 0.03 0.5558
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.086 0.4831
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0004 0.0023
Mycobacterium ulcerans 6-phosphofructokinase 0.0111 0.0789 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0004 0.0023
Loa Loa (eye worm) hypothetical protein 0.0082 0.0564 0.3167
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0004 0.0005
Schistosoma mansoni thymidylate kinase 0.0074 0.0497 0.0497
Echinococcus multilocularis thymidylate kinase 0.0074 0.0497 0.0659
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0004 0.0032
Leishmania major trypanothione reductase 0.0048 0.03 0.0736
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0262 0.2055
Plasmodium falciparum glutathione reductase 0.0048 0.03 0.5558
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.086 0.4831
Loa Loa (eye worm) hypothetical protein 0.0017 0.0059 0.0332
Echinococcus multilocularis ribonuclease H1 0.0066 0.0437 0.0579
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Brugia malayi phosphofructokinase 0.0111 0.0789 0.4432
Brugia malayi Thioredoxin reductase 0.0048 0.03 0.1686
Echinococcus granulosus 6 phosphofructokinase 0.0111 0.0789 0.6199
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0004 0.0032
Schistosoma mansoni hypothetical protein 0.0074 0.0497 0.0497
Entamoeba histolytica Thymidylate kinase, putative 0.0074 0.0497 0.1242
Trichomonas vaginalis thymidine kinase, putative 0.0511 0.3899 1
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0029 0.0149 0.0345
Brugia malayi hypothetical protein 0.0043 0.0262 0.1469
Echinococcus granulosus intermediate filament protein 0.0028 0.0138 0.1087
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0505 0.1263
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0157 0.0368
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0138 0.0777
Echinococcus multilocularis lamin dm0 0.0028 0.0138 0.0183
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0138 0.0777
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0157 0.2618
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0004 0.0004
Echinococcus multilocularis musashi 0.0028 0.0138 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0004 0.0023
Brugia malayi follicle stimulating hormone receptor 0.0239 0.1781 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0004 0.0023
Echinococcus multilocularis 6 phosphofructokinase 0.0111 0.0789 0.1046
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0073 0.0152
Treponema pallidum thymidylate kinase (tmk) 0.0074 0.0497 0.6022
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0054 0.0054
Trichomonas vaginalis thymidine kinase, putative 0.0511 0.3899 1
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0094 0.0525
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.022 0.0292
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0157 0.2618
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.0879 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0054 0.034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.086 0.4831
Trypanosoma brucei RNA helicase, putative 0.0389 0.2947 0.7549
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0157 0.0368
Brugia malayi thymidylate kinase 0.0074 0.0497 0.279
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0094 0.0204
Schistosoma mansoni hypothetical protein 0.0038 0.022 0.022
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0157 0.2618
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0004 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0004 0.0023
Schistosoma mansoni phosphoglucomutase 0.0066 0.0437 0.0437
Brugia malayi RNase H family protein 0.0066 0.0437 0.2452
Loa Loa (eye worm) thymidylate kinase 0.0074 0.0497 0.279
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0004 0.0004
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0054 0.0102
Toxoplasma gondii exonuclease III APE 0.0019 0.0073 0.0788
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0004 0.0032
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.0789 0.1995
Schistosoma mansoni hypothetical protein 0.0043 0.0262 0.0262
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.03 0.2985
Giardia lamblia Ribonuclease H 0.0066 0.0437 0.0995
Brugia malayi MH2 domain containing protein 0.0144 0.1045 0.587
Echinococcus granulosus bloom syndrome protein 0.0022 0.0094 0.0735
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0004 0.0023
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0054 0.0102
Loa Loa (eye worm) glutathione reductase 0.0048 0.03 0.1686
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0131
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0073 0.0412
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7543 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0004 0.0023
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0054 0.0102
Schistosoma mansoni hypothetical protein 0.0173 0.1273 0.1273
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0004 0.0004
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0262 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0004 0.0023
Treponema pallidum ribonuclease H (rnhA) 0.0066 0.0437 0.5204
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0138 0.0777
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0004 0.0004
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0054 0.0102
Schistosoma mansoni hypothetical protein 0.0038 0.022 0.022
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.03 0.0398
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.0789 0.1995
Brugia malayi intermediate filament protein 0.0028 0.0138 0.0777
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0004 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0004 0.0023
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0004 0.0005
Schistosoma mansoni lamin 0.0028 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.012 0.086 0.4831
Schistosoma mansoni intermediate filament proteins 0.0028 0.0138 0.0138
Entamoeba histolytica hypothetical protein 0.0043 0.0262 0.0636
Plasmodium falciparum thymidylate kinase 0.0074 0.0497 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0004 0.0004
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0564 0.3167
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0131
Leishmania major ribonuclease H1, putative 0.0066 0.0437 0.1087
Trypanosoma cruzi UMP-CMP kinase, mitochondrial, putative 0.0029 0.0149 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0004 0.0023
Schistosoma mansoni nuclear hormone receptor 0.001 0.0004 0.0004
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0157 0.0368
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0019 0.0109
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0004 0.0023
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0073 0.0425
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.0879 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Trypanosoma brucei thymidylate kinase, putative 0.0074 0.0497 0.1242
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0111 0.0789 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0004 0.0023
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0004 0.0032
Trypanosoma brucei ribonuclease H1 0.0066 0.0437 0.1087
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1045 0.587
Trypanosoma brucei trypanothione reductase 0.0048 0.03 0.0736
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0004 0.0023
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0073 0.0152
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.1781 1
Entamoeba histolytica hypothetical protein 0.0043 0.0262 0.0636
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.0783 0.8837
Trypanosoma brucei thymidine kinase 0.0511 0.3899 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0054 0.0102
Schistosoma mansoni ap endonuclease 0.0019 0.0073 0.0073
Mycobacterium ulcerans thymidylate kinase 0.0074 0.0497 0.6022
Echinococcus granulosus geminin 0.0173 0.1273 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0074 0.0497 0.5371
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Schistosoma mansoni lamin 0.0028 0.0138 0.0138
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0073 0.0262
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.022 0.0292
Leishmania major ATP-dependent phosphofructokinase 0.0111 0.0789 0.1995
Trypanosoma brucei ingi protein (ORF1) 0.0075 0.0505 0.1263
Loa Loa (eye worm) hypothetical protein 0.0013 0.0027 0.0153
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.03 0.5709
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0074 0.0497 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0004 0.0032
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0073 0.0436
Brugia malayi RNase H family protein 0.0066 0.0437 0.2452
Brugia malayi glutathione reductase 0.0048 0.03 0.1686
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0004 0.0023
Onchocerca volvulus Ribonuclease H1 homolog 0.0066 0.0437 0.8779
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Brugia malayi Latrophilin receptor protein 2 0.0038 0.022 0.1235
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.0783 0.8837
Echinococcus granulosus lamin 0.0028 0.0138 0.1087
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0111 0.0789 0.1995
Trypanosoma brucei thymidylate kinase, putative 0.0074 0.0497 0.1242
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0004 0.0004
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.03 0.0736
Schistosoma mansoni coup transcription factor 0.001 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Trypanosoma cruzi thymidine kinase, putative 0.0511 0.3899 1
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0789 0.1995
Trypanosoma brucei unspecified product 0.0075 0.0505 0.1263
Brugia malayi 6-phosphofructokinase 0.0111 0.0789 0.4432
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0054 0.0102
Trypanosoma cruzi ribonuclease H1, putative 0.0066 0.0437 0.1087
Toxoplasma gondii thymidylate kinase 0.0074 0.0497 1
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0054 0.0369
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0054 0.0102
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0004 0.0023
Onchocerca volvulus 0.0028 0.0138 0.2725
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0004 0.0023
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.022 0.1728
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0004 0.0023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0134 0.0755
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0157 0.2335
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0157 0.0368
Trichomonas vaginalis thymidylate kinase, putative 0.0074 0.0497 0.1242
Leishmania major thymidine kinase, putative 0.0511 0.3899 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0004 0.0004
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0073 0.0152
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.0783 0.8837
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0004 0.0005
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0262 0.0347
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.022 0.1235
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0073 0.005
Entamoeba histolytica thymidine kinase, putative 0.0511 0.3899 1
Schistosoma mansoni hypothetical protein 0.0173 0.1273 0.1273
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0073 0.0152
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.0789 0.1995
Schistosoma mansoni hypothetical protein 0.0389 0.2947 0.2947
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0157 0.0368
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0073 0.0152
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Echinococcus granulosus ribonuclease H1 0.0066 0.0437 0.343
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.0783 0.7488
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0075 0.0505 0.1263
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0157 0.2335
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0054 0.0304
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0004 0.0032
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0789 0.1995
Echinococcus multilocularis geminin 0.0173 0.1273 0.1688
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0157 0.0368
Echinococcus granulosus FTZ F1 alpha 0.001 0.0004 0.0032
Brugia malayi steroid hormone receptor 0.001 0.0004 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Schistosoma mansoni hypothetical protein 0.0038 0.022 0.022
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0073 0.0152
Loa Loa (eye worm) 6-phosphofructokinase 0.0111 0.0789 0.4432
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0039 0.0217
Trypanosoma cruzi thymidylate kinase, putative 0.0074 0.0497 0.1242
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0073 0.0436
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.0879 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0054 0.034
Trichomonas vaginalis ribonuclease H1, putative 0.0066 0.0437 0.1087
Loa Loa (eye worm) RecQ helicase 0.0022 0.0094 0.0525
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0094 0.0124
Brugia malayi 6-phosphofructokinase 0.0111 0.0789 0.4432
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0027 0.0214
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0004 0.0005
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0004 0.0005
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0157 0.2596
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0004 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0004 0.0023
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0157 0.0269
Echinococcus multilocularis lamin 0.0028 0.0138 0.0183
Schistosoma mansoni 6-phosphofructokinase 0.0111 0.0789 0.0789
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Brugia malayi nuclear hormone receptor 0.001 0.0004 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0004 0.0023
Toxoplasma gondii thioredoxin reductase 0.0048 0.03 0.5722
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0789 0.1995
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0054 0.0369
Plasmodium vivax glutathione reductase, putative 0.0048 0.03 0.5709
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0111 0.0789 0.8918
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0054 0.0102
Brugia malayi RNase H family protein 0.0066 0.0437 0.2452
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0004 0.0023
Brugia malayi ecdysteroid receptor 0.001 0.0004 0.0023
Plasmodium vivax thymidylate kinase, putative 0.0074 0.0497 1
Giardia lamblia CDC8 0.0074 0.0497 0.1151
Schistosoma mansoni thyroid hormone receptor 0.001 0.0004 0.0004
Toxoplasma gondii ribonuclease HI protein 0.0066 0.0437 0.8692
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0058 0.0058
Entamoeba histolytica hypothetical protein 0.0043 0.0262 0.0636
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0054 0.0425
Entamoeba histolytica hypothetical protein 0.0043 0.0262 0.0636
Mycobacterium tuberculosis Probable reductase 0.011 0.0783 0.8837
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0073 0.0761
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0054 0.0102
Brugia malayi nuclear receptor NHR-88 0.001 0.0004 0.0023
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.03 0.2358
Loa Loa (eye worm) hypothetical protein 0.0038 0.022 0.1235
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0094 0.0204

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.575 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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