Detailed information for compound 1319531

Basic information

Technical information
  • TDR Targets ID: 1319531
  • Name: 7-ethyl-3-methyl-8-prop-2-enylsulfanylpurine- 2,6-dione
  • MW: 266.319 | Formula: C11H14N4O2S
  • H donors: 1 H acceptors: 3 LogP: 1.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCSc1nc2c(n1CC)c(=O)[nH]c(=O)n2C
  • InChi: 1S/C11H14N4O2S/c1-4-6-18-11-12-8-7(15(11)5-2)9(16)13-10(17)14(8)3/h4H,1,5-6H2,2-3H3,(H,13,16,17)
  • InChiKey: NLVUKMBKIDLCMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-allylsulfanyl-7-ethyl-3-methyl-purine-2,6-dione
  • 8-(allylthio)-7-ethyl-3-methylpurine-2,6-dione
  • 8-(allylthio)-7-ethyl-3-methyl-xanthine
  • 7-ethyl-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione
  • Oprea1_391677
  • BAS 00844009
  • ZINC04103188
  • 8-Allylsulfanyl-7-ethyl-3-methyl-3,7-dihydro-purine-2,6-dione
  • MLS000070767
  • SMR000009621
  • Oprea1_512719

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni sphingosine kinase A B 0.2195 1 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0033 0.1262
Entamoeba histolytica diacylglycerol kinase, putative 0.0085 0.0264 0.0264
Loa Loa (eye worm) hypothetical protein 0.0085 0.0264 0.0229
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0065 0.0065
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.0211 0.4436
Plasmodium falciparum diacylglycerol kinase, putative 0.0085 0.0264 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0208 0.0208
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0208 0.0173
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.103 0.0997
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0085 0.0264 0.1996
Schistosoma mansoni diacylglycerol kinase theta 0.0085 0.0264 0.0229
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.0475 0.0475
Schistosoma mansoni hypothetical protein 0.0085 0.0264 0.0229
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0065 0.0029
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0085 0.0264 0.0229
Trypanosoma cruzi diacylglycerol kinase, putative 0.0085 0.0264 0.485
Echinococcus granulosus Diacylglycerol kinase zeta 0.0085 0.0264 0.0235
Mycobacterium ulcerans hypothetical protein 0.2195 1 1
Trichomonas vaginalis sphingosine kinase, putative 0.0085 0.0264 0.1996
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0475 0.3823
Onchocerca volvulus 0.0042 0.0065 0.0253
Trypanosoma brucei Sphingosine kinase 0.0085 0.0264 0.5557
Entamoeba histolytica diacylglycerol kinase, putative 0.0085 0.0264 0.0264
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.0211 0.0176
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.0029
Onchocerca volvulus 0.0085 0.0264 0.1978
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0065 0.0065
Plasmodium vivax diacylglycerol kinase, putative 0.0085 0.0264 1
Trypanosoma cruzi Sphingosine kinase 0.0085 0.0264 0.485
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0208 0.0208
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0065 0.0276
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0033 0.1262
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.0475 1
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0065 0.0276
Trypanosoma cruzi diacylglycerol kinase, putative 0.0085 0.0264 0.485
Trichomonas vaginalis esterase, putative 0.0042 0.0065 0.0276
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0138 0.0103
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0271 0.1119 0.1119
Brugia malayi hypothetical protein 0.0085 0.0264 0.2297
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0475 0.0441
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0033 0.1262
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0085 0.0264 0.485
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0475 0.3823
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.0033 0.0033
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0085 0.0264 0.5557
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0333 0.0298
Brugia malayi Ceramide kinase 0.0085 0.0264 0.2297
Brugia malayi diacylglycerol kinase 0.0085 0.0264 0.2297
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0208 0.0179
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0475 0.3823
Plasmodium vivax SET domain protein, putative 0.0036 0.0036 0.1364
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0065 0.0035
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0535 0.0501
Brugia malayi Eye-specific diacylglycerol kinase 0.0085 0.0264 0.2297
Mycobacterium tuberculosis Diacylglycerol kinase 0.0085 0.0264 0.0264
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0475 0.0475
Brugia malayi beta-lactamase 0.0042 0.0065 0.0294
Trypanosoma brucei diacylglycerol kinase, putative 0.0085 0.0264 0.5557
Onchocerca volvulus 0.0042 0.0065 0.0253
Brugia malayi Pre-SET motif family protein 0.0251 0.103 1
Brugia malayi beta-lactamase family protein 0.0042 0.0065 0.0294
Leishmania major hypothetical protein, conserved 0.0042 0.0065 0.1373
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.0029
Entamoeba histolytica hypothetical protein, conserved 0.2195 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0148 0.0112
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0148 0.1122
Toxoplasma gondii diacylglycerol kinase, putative 0.0085 0.0264 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0264 0.0229
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0211 0.0176
Mycobacterium tuberculosis Conserved protein 0.0042 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0058 0.0138 0.0103
Loa Loa (eye worm) hypothetical protein 0.01 0.0333 0.0298
Loa Loa (eye worm) phosphofructokinase 0.0131 0.0475 0.0441
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0065 0.0065
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.0475 0.0475
Echinococcus multilocularis ceramide kinase 0.0085 0.0264 0.0229
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.0475 1
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0065 0.0065
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0208 0.0208
Echinococcus multilocularis sphingosine kinase 1 0.2195 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0148 0.1122
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0065 0.0276
Trichomonas vaginalis bmru protein, putative 0.0085 0.0264 0.1996
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0065 0.0065
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0085 0.0264 0.1996
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0033 0.1262
Mycobacterium ulcerans beta-lactamase 0.0042 0.0065 0.0065
Leishmania major sphingosine kinase A, B, putative 0.0085 0.0264 0.5557
Brugia malayi 6-phosphofructokinase 0.0131 0.0475 0.4423
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0475 0.0475
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0208 0.4376
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0085 0.0264 0.0229
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0036 0.1364
Trypanosoma cruzi Sphingosine kinase 0.0085 0.0264 0.485
Mycobacterium leprae Probable lipase LipE 0.0042 0.0065 0.1373
Echinococcus granulosus Diacylglycerol kinase theta 0.0085 0.0264 0.0235
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.0033 0.0701
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.0475 0.3823
Trichomonas vaginalis bmru protein, putative 0.0085 0.0264 0.1996
Brugia malayi Diacylglycerol kinase protein 2 0.0085 0.0264 0.2297
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0085 0.0264 1
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.0475 0.0441
Loa Loa (eye worm) diacylglycerol kinase 2 0.0085 0.0264 0.0229
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0065 0.0065
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0065 0.0294
Trypanosoma brucei hypothetical protein, conserved 0.0085 0.0264 0.5557
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0085 0.0264 0.0229
Loa Loa (eye worm) hypothetical protein 0.2195 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0211 0.0182
Schistosoma mansoni diacylglycerol kinase theta 0.0085 0.0264 0.0229
Schistosoma mansoni sphingoid long chain base kinase 0.2195 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0208 0.0208
Plasmodium falciparum diacylglycerol kinase, putative 0.0085 0.0264 1
Mycobacterium ulcerans lipase LipD 0.0042 0.0065 0.0065
Trichomonas vaginalis diacylglycerol kinase, putative 0.0085 0.0264 0.1996
Entamoeba histolytica diacylglycerol kinase, putative 0.0085 0.0264 0.0264
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0085 0.0264 0.0229
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0333 0.0304
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.0029
Mycobacterium tuberculosis Conserved protein 0.2195 1 1
Brugia malayi beta-lactamase family protein 0.0042 0.0065 0.0294
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0065 0.0065
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0208 0.0173
Echinococcus multilocularis tumor protein p63 0.0398 0.1706 0.1676
Echinococcus granulosus ceramide kinase 0.0085 0.0264 0.0235
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0208 0.0173
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0065 0.0029
Echinococcus multilocularis Diacylglycerol kinase theta 0.0085 0.0264 0.0229
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0065 0.1373
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.0211 0.176
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0085 0.0264 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0033 0.1262
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0211 0.0211
Plasmodium vivax diacylglycerol kinase, putative 0.0085 0.0264 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0264 0.0229
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0148 0.0112
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0065 0.0065
Brugia malayi phosphofructokinase 0.0131 0.0475 0.4423
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0085 0.0264 0.0229
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.006 0.0237
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0036 0.0006
Trypanosoma cruzi hypothetical protein, conserved 0.0085 0.0264 0.485
Trichomonas vaginalis sphingosine kinase, putative 0.0085 0.0264 0.1996
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0085 0.0264 0.485
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0085 0.0264 0.0235
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0065 0.0029
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0065 0.1373
Leishmania major diacylglycerol kinase-like protein 0.0085 0.0264 0.5557
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.0475 0.0447
Toxoplasma gondii ABC1 family protein 0.0042 0.0065 0.2471
Brugia malayi 6-phosphofructokinase 0.0131 0.0475 0.4423
Loa Loa (eye worm) beta-lactamase 0.0042 0.0065 0.0029
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0333 0.2989
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3716 0.3697
Mycobacterium tuberculosis Conserved protein 0.0042 0.0065 0.0065
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0065 0.0276
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0065 0.0029
Mycobacterium ulcerans diacylglycerol kinase 0.0085 0.0264 0.0264
Trichomonas vaginalis diacylglycerol kinase, putative 0.0085 0.0264 0.1996
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3716 0.3693
Entamoeba histolytica diacylglycerol kinase, putative 0.0085 0.0264 0.0264
Leishmania major hypothetical protein, conserved 0.0085 0.0264 0.5557
Loa Loa (eye worm) hypothetical protein 0.0041 0.006 0.0024
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3716 0.3693
Trichomonas vaginalis set domain proteins, putative 0.0286 0.119 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.0029
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.0211 0.0211
Onchocerca volvulus 0.0042 0.0065 0.0253
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0211 0.0211
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0033 0.1262
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0033 0.1262
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.0475 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0475 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0033 1
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.0475 0.0475
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0085 0.0264 0.485
Brugia malayi MH2 domain containing protein 0.0144 0.0535 0.5022
Onchocerca volvulus Ceramide kinase 1 homolog 0.0085 0.0264 0.1978
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0065 0.2471
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0065 0.0276
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0475 0.0441
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0065 0.0065
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.0475 0.0441
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.0475 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0333 0.0298
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0033 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.0029
Onchocerca volvulus 0.0286 0.119 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0168 0.0132
Onchocerca volvulus 0.01 0.0333 0.2574
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0208 0.7875
Leishmania major diacylglycerol kinase, putative 0.0085 0.0264 0.5557
Mycobacterium tuberculosis Conserved protein 0.0042 0.0065 0.0065
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.0475 0.0441
Schistosoma mansoni hypothetical protein 0.0041 0.006 0.0024
Onchocerca volvulus 0.0058 0.0138 0.0887
Mycobacterium ulcerans hypothetical protein 0.0042 0.0065 0.0065
Brugia malayi diacylglycerol kinase 0.0085 0.0264 0.2297
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0 0.5
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.0033 0.5
Loa Loa (eye worm) ceramide kinase 0.0085 0.0264 0.0229
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0085 0.0264 0.1996
Loa Loa (eye worm) hypothetical protein 0.0042 0.0065 0.0029
Leishmania major hypothetical protein, conserved 0.0085 0.0264 0.5557
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0535 0.0501
Echinococcus granulosus tumor protein p63 0.0398 0.1706 0.1681
Trichomonas vaginalis conserved hypothetical protein 0.0085 0.0264 0.1996

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.005 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) 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 Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) 31.6228 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 70.7946 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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