Detailed information for compound 1319665

Basic information

Technical information
  • TDR Targets ID: 1319665
  • Name: 3-methyl-7-propan-2-yl-8-prop-2-enylsulfanylp urine-2,6-dione
  • MW: 280.346 | Formula: C12H16N4O2S
  • H donors: 1 H acceptors: 3 LogP: 1.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C
  • InChi: 1S/C12H16N4O2S/c1-5-6-19-12-13-9-8(16(12)7(2)3)10(17)14-11(18)15(9)4/h5,7H,1,6H2,2-4H3,(H,14,17,18)
  • InChiKey: DDPYTCQTBNNOAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-allylsulfanyl-7-isopropyl-3-methyl-purine-2,6-dione
  • 8-(allylthio)-7-isopropyl-3-methylpurine-2,6-dione
  • 8-(allylthio)-7-isopropyl-3-methyl-xanthine
  • 3-methyl-7-propan-2-yl-8-prop-2-enylsulfanyl-purine-2,6-dione
  • ZINC02057284
  • Oprea1_409438
  • STK030176
  • Oprea1_130388
  • AG-690/11451100
  • MLS000029337
  • SMR000009147
  • 8-Allylsulfanyl-7-isopropyl-3-methyl-3,7-dihydro-purine-2,6-dione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans 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
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans aldehyde dehydrogenase 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
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 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) 3.1623 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) 8.4921 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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 (functional) 26.6795 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: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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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