Detailed information for compound 1586693

Basic information

Technical information
  • TDR Targets ID: 1586693
  • Name: N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2 -yl]oxy]ethyl]-4-methylbenzenesulfonamide
  • MW: 380.465 | Formula: C16H24N6O3S
  • H donors: 1 H acceptors: 5 LogP: 2.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)NCCOc1nc(nc(n1)N(C)C)N(C)C
  • InChi: 1S/C16H24N6O3S/c1-12-6-8-13(9-7-12)26(23,24)17-10-11-25-16-19-14(21(2)3)18-15(20-16)22(4)5/h6-9,17H,10-11H2,1-5H3
  • InChiKey: VTDJEQJMKHXMDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-4-methyl-benzenesulfonamide
  • N-[2-[[4,6-bis(dimethylamino)-s-triazin-2-yl]oxy]ethyl]-4-methyl-benzenesulfonamide
  • ZINC02060111
  • AE-848/11489792
  • STOCK3S-91645
  • MLS000776963
  • N-[2-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-yloxy)-ethyl]-4-methyl-benzenesulfonamide
  • SMR000413360

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Protein kinase domain containing protein 0.0017 0.0019 0.0019
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.6647 0.6647
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0027 0.0125 0.0125
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0155 0.1414 0.3048
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0109 0.0771
Brugia malayi Protein kinase domain containing protein 0.0017 0.0019 0.0019
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0027 0.0125 0.0125
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0033 0.0044
Brugia malayi protein kinase C II. 0.0031 0.0163 0.0163
Echinococcus granulosus protein kinase c iota type 0.0029 0.0139 0.0139
Echinococcus multilocularis purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0027 0.0125 0.0245
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.0873 0.0873
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.6647 0.6647
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0017 0.0019 0.0019
Trypanosoma cruzi UDP-glucoronosyl and UDP-glucosyl transferase, putative 0.0027 0.0117 0.0117
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0017 0.0019 0.0019
Echinococcus multilocularis sterol regulatory element binding protein 0.0412 0.4027 0.4027
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.1002 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0027 0.0125 0.0125
Brugia malayi Cytochrome P450 family protein 0.0033 0.0186 0.0186
Loa Loa (eye worm) AGC/NDR protein kinase 0.0017 0.0019 0.0019
Echinococcus multilocularis geminin 0.0521 0.5124 0.5124
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0446 0.0446
Treponema pallidum uridine phosphorylase (udp) 0.0155 0.1414 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0312 0.065
Toxoplasma gondii Purine nucleoside phosphorylase 0.0155 0.1414 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0027 0.0125 0.076
Chlamydia trachomatis AMP nucleosidase 0.0027 0.0125 0.5
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.1002 1 1
Echinococcus multilocularis protein kinase c iota type 0.0029 0.0139 0.0139
Treponema pallidum pfs protein (pfs) 0.0027 0.0125 0.067
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.0873 0.0873
Schistosoma mansoni amidase 0.0101 0.0873 0.0873
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0186 0.0186
Echinococcus multilocularis purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0027 0.0125 0.0202
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0125 0.0245
Brugia malayi uridine phosphorylase family protein 0.0027 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0101 0.0873 0.0873
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0027 0.0125 0.0245
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.0873 0.0873
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0033
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0019 0.0019
Echinococcus granulosus tumor protein p63 0.0328 0.3177 0.3177
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0027 0.0125 0.0245
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0017 0.0019 0.0019
Entamoeba histolytica hypothetical protein 0.0027 0.0125 0.076
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0017 0.0019 0.0019
Brugia malayi p70 ribosomal S6 kinase beta 0.0017 0.0019 0.0019
Toxoplasma gondii phosphorylase family protein 0.0027 0.0125 0.0886
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0027 0.0125 0.0125
Toxoplasma gondii phosphorylase family protein 0.0027 0.0125 0.0886
Trypanosoma brucei uridine phosphorylase 0.0027 0.0125 0.0125
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0027 0.0125 0.076
Brugia malayi CHE-14 protein 0.0412 0.4027 0.4027
Loa Loa (eye worm) CYP4Cod1 0.0033 0.0186 0.0186
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0033 0.0096
Leishmania major methylthioadenosine phosphorylase, putative 0.0027 0.0125 0.0125
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0033 0.0044
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0048 0.0335 0.0335
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0027 0.0125 0.0125
Echinococcus granulosus NDR protein kinase 0.0017 0.0019 0.0019
Echinococcus multilocularis purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0033 0.0186 0.0186
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0077 0.0626 0.0626
Trypanosoma brucei polo-like protein kinase 0.0092 0.0781 0.0781
Brugia malayi MTAP 0.0027 0.0125 0.0125
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0312 0.065
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0155 0.1414 0.3048
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0155 0.1414 1
Echinococcus granulosus Protein patched homolog 1 0.0412 0.4027 0.4027
Loa Loa (eye worm) hypothetical protein 0.0026 0.0109 0.0109
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.058 0.058
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.047 0.461 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0109 0.0553
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.0781 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0027 0.0125 0.0125
Brugia malayi Cytochrome P450 family protein 0.0056 0.0418 0.0418
Echinococcus granulosus protein kinase c epsilon type 0.0031 0.0163 0.0163
Schistosoma mansoni patched 1 0.0412 0.4027 0.4027
Mycobacterium ulcerans short chain dehydrogenase 0.0645 0.6381 0.6381
Echinococcus multilocularis Niemann Pick C1 protein 0.0412 0.4027 0.4027
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0781 0.0781
Echinococcus granulosus Niemann Pick C1 protein 0.0412 0.4027 0.4027
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0019 0.0019
Echinococcus multilocularis purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.0446
Mycobacterium tuberculosis Probable oxidoreductase 0.0645 0.6381 1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.0873 0.0873
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0027 0.0125 0.0245
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0109 0.0553
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0186 0.0186
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.058 0.058
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0019 0.0019
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.058 0.058
Loa Loa (eye worm) hypothetical protein 0.0089 0.0745 0.0745
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.1002 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0446 0.0698
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.0446
Schistosoma mansoni uridine phosphorylase 0.0027 0.0125 0.0125
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0017 0.0019 0.0019
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0155 0.1414 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.1002 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0446 0.0446
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1309 0.1309
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0017 0.0019 0.0019
Brugia malayi Protein kinase c protein 2 0.0092 0.0777 0.0777
Trypanosoma cruzi cytochrome P450, putative 0.0033 0.0186 0.0186
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0033 0.0033
Schistosoma mansoni atypical protein kinase C 0.0029 0.0139 0.0139
Schistosoma mansoni purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0027 0.0125 0.0125
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0.0163 0.0163
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0027 0.0125 0.0125
Echinococcus multilocularis protein dispatched 1 0.0412 0.4027 0.4027
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0027 0.0125 0.0125
Echinococcus multilocularis serine threonine protein kinase 0.0096 0.0823 0.0823
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0446 0.0446
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1309 0.1309
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0033 0.0033
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0027 0.0125 0.0245
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0108 0.0942 0.0942
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.058 0.058
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1002 1 1
Echinococcus granulosus geminin 0.0521 0.5124 0.5124
Brugia malayi MH2 domain containing protein 0.0144 0.1309 0.1309
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0109 0.0109
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.058 0.058
Loa Loa (eye worm) AGC/PKN protein kinase 0.0017 0.0019 0.0019
Brugia malayi amidase 0.0101 0.0873 0.0873
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0109 0.0109
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.058 0.058
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0109 0.0553
Brugia malayi hypothetical protein 0.0017 0.0016 0.0016
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.1002 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.047 0.461 1
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0272 0.0272
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.0019 0.0019
Schistosoma mansoni methylthioadenosine phosphorylase 0.0027 0.0125 0.0125
Echinococcus multilocularis uridine phosphorylase 1 0.0027 0.0125 0.0125
Leishmania major cytochrome p450-like protein 0.0033 0.0186 0.0186
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0781 0.5463
Loa Loa (eye worm) AGC/AKT protein kinase 0.0017 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.0521 0.5124 0.5124
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0781 0.0781
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0017 0.0019 0.0019
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0781 0.0781
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0446 0.3152
Echinococcus granulosus RNA directed DNA polymerase 0.0077 0.0626 0.0626
Onchocerca volvulus 0.0048 0.0335 0.3194
Schistosoma mansoni fatty-acid amide hydrolase 0.0101 0.0873 0.0873
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0418 0.0418
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0018 0.0033 0.0033
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0027 0.0125 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0033 0.0051
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.1002 1 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0017 0.0019 0.0019
Echinococcus multilocularis purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Leishmania major nucleoside phosphorylase-like protein 0.0027 0.0125 0.0125
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0781 0.0781
Brugia malayi Protein kinase domain containing protein 0.0017 0.0019 0.0019
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.058 0.058
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Schistosoma mansoni uridine phosphorylase 0.0027 0.0125 0.0125
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0017 0.0019 0.0019
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1002 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.058 0.058
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0027 0.0125 0.0125
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0027 0.0125 0.076
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0155 0.1414 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0033 0.0033
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.0446
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0781 0.0781
Brugia malayi Hr1 repeat family protein 0.0017 0.0019 0.0019
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0155 0.1414 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0033 0.0231
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Mycobacterium tuberculosis Conserved hypothetical protein 0.0027 0.0125 0.0196
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0027 0.0125 0.0125
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Echinococcus granulosus uridine phosphorylase 1 0.0027 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0412 0.4027 0.4027
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.058 0.058
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0446 0.0446
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0033 0.0033
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.008 0.0657 0.0657
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.047 0.461 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Echinococcus granulosus serine:threonine protein kinase N2 0.0017 0.0019 0.0019
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0019 0.0019
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0942 0.0942
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0027 0.0125 0.0196
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0027 0.0117 0.0117
Schistosoma mansoni kinase 0.0047 0.0324 0.0324
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0781 0.0781
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0017 0.0019 0.0019
Giardia lamblia Kinase, PLK 0.0092 0.0781 0.1635
Echinococcus granulosus Protein kinase C brain isozyme 0.0108 0.0942 0.0942
Brugia malayi hypothetical protein 0.0026 0.0109 0.0109
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Loa Loa (eye worm) uridine phosphorylase 0.0027 0.0125 0.0125
Echinococcus multilocularis protein patched 0.0412 0.4027 0.4027
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0781 0.1672
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0335 0.0335
Trypanosoma brucei rac serine-threonine kinase, putative 0.0017 0.0019 0.0019
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0033 0.0033
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0109 0.0109
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0412 0.4027 0.4027
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.1002 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.047 0.461 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0027 0.0125 0.0202
Loa Loa (eye worm) hypothetical protein 0.0017 0.0019 0.0019
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.0019 0.0019
Echinococcus granulosus purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0027 0.0125 0.0196
Schistosoma mansoni serine/threonine protein kinase 0.0031 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0521 0.5124 0.5124
Leishmania major hypothetical protein, conserved 0.0026 0.0109 0.0109
Toxoplasma gondii AGC kinase 0.0017 0.0019 0.0136
Plasmodium falciparum purine nucleoside phosphorylase 0.0155 0.1414 1
Echinococcus granulosus protein kinase C gamma type 0.0096 0.0823 0.0823
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0027 0.0125 0.0245
Schistosoma mansoni ap endonuclease 0.0018 0.0033 0.0033
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Schistosoma mansoni purine nucleoside phosphorylase 0.0027 0.0125 0.0125
Giardia lamblia UPL-1 0.0027 0.0125 0.0202
Trichomonas vaginalis conserved hypothetical protein 0.0412 0.4027 0.8732
Echinococcus granulosus sterol regulatory element binding protein 0.0412 0.4027 0.4027
Echinococcus granulosus microtubule associated protein 2 0.0671 0.6647 0.6647
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Echinococcus multilocularis protein kinase c epsilon type 0.0031 0.0163 0.0163
Schistosoma mansoni methylthioadenosine phosphorylase 0.0027 0.0125 0.0125
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0077 0.0626 0.0626
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0781 0.0781
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0033 0.0033
Trypanosoma brucei cytochrome P450, putative 0.0033 0.0186 0.0186
Mycobacterium leprae probable uridine phosphorylase 0.0027 0.0125 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.058 0.4023
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0027 0.0125 0.0202
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0942 0.0942
Echinococcus multilocularis RNA directed DNA polymerase 0.0077 0.0626 0.0626
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0027 0.0125 0.0125
Echinococcus multilocularis tumor protein p63 0.0328 0.3177 0.3177
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0186 0.0186
Echinococcus granulosus methylthioadenosine phosphorylase 0.0027 0.0125 0.0125
Brugia malayi Cytochrome P450 family protein 0.0033 0.0186 0.0186
Echinococcus multilocularis serine:threonine protein kinase 38 0.0017 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0125 0.0245
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0027 0.0125 0.076
Schistosoma mansoni serine/threonine kinase 0.0017 0.0019 0.0019
Mycobacterium tuberculosis Hypothetical protein 0.0027 0.0125 0.0196
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0781 0.0781
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0019 0.0015
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0412 0.4027 0.4027

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 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) 19.9526 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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.
 
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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