Detailed information for compound 561052

Basic information

Technical information
  • TDR Targets ID: 561052
  • Name: 8-anilino-1,3-dimethyl-7H-purine-2,6-dione
  • MW: 271.275 | Formula: C13H13N5O2
  • H donors: 2 H acceptors: 3 LogP: 1.49 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c2[nH]c(nc2c(=O)n(c1=O)C)Nc1ccccc1
  • InChi: 1S/C13H13N5O2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)14-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,14,15,16)
  • InChiKey: RXCJTNUAETXUOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3-dimethyl-8-phenylazanyl-7H-purine-2,6-dione
  • 8-anilino-1,3-dimethyl-7H-purine-2,6-quinone
  • 1,3-dimethyl-8-(phenylamino)-7H-purine-2,6-dione
  • 1,3-dimethyl-8-(phenylamino)-7H-purine-2,6-quinone
  • 8-anilino-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • MLS000064025
  • SMR000075796
  • 8-Anilino-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
  • AIDS-142823
  • AIDS142823
  • NSC661161
  • ZINC00487585
  • A3204/0135828
  • Oprea1_293237
  • NCI60_021301
  • SDCCGMLS-0064465.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0082 0.0533 0.2773
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0109 0.0376
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0147 0.122 1
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.065 0.0953
Loa Loa (eye worm) glutathione reductase 0.0037 0.0063 0.0289
Brugia malayi Augmenter of liver regeneration 0.0041 0.0109 0.0496
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1747 0.9193
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0279 0.0409
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0566 0.1672
Brugia malayi hypothetical protein 0.0211 0.1899 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0279 0.217
Trypanosoma brucei glucosidase, putative 0.0044 0.0132 0.1047
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0363 0.0363
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0533 0.0781
Echinococcus granulosus lamin 0.0033 0.0015 0.0022
Plasmodium vivax glutathione reductase, putative 0.0037 0.0063 0.0503
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0147 0.122 0.9667
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0665 0.2005
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0156 0.022
Onchocerca volvulus 0.0043 0.0126 0.091
Echinococcus multilocularis biotin protein ligase 0.0151 0.1262 0.1262
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0132 0.0621
Onchocerca volvulus 0.0082 0.0533 0.4255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0254 0.0373
Loa Loa (eye worm) hypothetical protein 0.0148 0.1232 0.6472
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0279 0.0409
Plasmodium falciparum thioredoxin reductase 0.0037 0.0063 0.0503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0254 0.0373
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0533 0.2749
Brugia malayi glutathione reductase 0.0037 0.0063 0.0257
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0046 0.0158 0.0234
Plasmodium falciparum glutathione reductase 0.0037 0.0063 0.0503
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0069 0.0101
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0147 0.122 0.965
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Plasmodium vivax biotin--[acetyl-CoA-carboxylase] synthetase, putative 0.0151 0.1262 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1747 0.1747
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0279 0.0409
Trypanosoma brucei polo-like protein kinase 0.0093 0.065 0.5153
Chlamydia trachomatis biotin synthetase 0.0151 0.1262 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0533 0.0781
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.065 0.5218
Schistosoma mansoni intermediate filament proteins 0.0033 0.0015 0.0022
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0109 0.086
Echinococcus multilocularis survival motor neuron protein 1 0.0211 0.1899 0.1899
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.065 0.4896
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0109 0.0159
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Plasmodium falciparum adenosylhomocysteinase 0.0147 0.122 0.9667
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0156 0.022
Mycobacterium tuberculosis Probable reductase 0.0085 0.0566 0.1672
Echinococcus multilocularis lamin 0.0033 0.0015 0.0015
Plasmodium falciparum biotin--acetyl-CoA-carboxylase, putative 0.0151 0.1262 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0109 0.086
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0279 0.0279
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1747 0.1747
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0147 0.122 0.9667
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0533 0.0533
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0109 0.086
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0132 0.0194
Brugia malayi hypothetical protein 0.0148 0.1232 0.646
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.065 0.5153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0254 0.1298
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0566 0.1672
Toxoplasma gondii thioredoxin reductase 0.0037 0.0063 0.0521
Onchocerca volvulus 0.0114 0.0872 0.704
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0279 0.0279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0254 0.0254
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0254 0.0254
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0015 0.0033
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Loa Loa (eye worm) hypothetical protein 0.0148 0.1232 0.6472
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0566 0.1672
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0665 0.2005
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0132 0.0132
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.065 0.3393
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0043 0.0126 0.0588
Schistosoma mansoni kinase 0.0047 0.0169 0.0248
Echinococcus multilocularis adenosylhomocysteinase 0.0147 0.122 0.122
Trypanosoma brucei trypanothione reductase 0.0037 0.0063 0.0503
Schistosoma mansoni lamin 0.0033 0.0015 0.0022
Schistosoma mansoni adenosylhomocysteinase 0.0091 0.063 0.0923
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1747 0.2561
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.2066 0.3029
Schistosoma mansoni adenosylhomocysteinase 0.0091 0.063 0.0923
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0015 0.0033
Toxoplasma gondii adenosylhomocysteinase, putative 0.0147 0.122 1
Schistosoma mansoni biotin-protein ligase 0.0137 0.1114 0.1634
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0147 0.122 0.3852
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.065 0.0953
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0132 0.0573
Plasmodium falciparum biotin protein ligase, putative 0.0151 0.1262 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0566 0.1672
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0254 0.0373
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0132 0.1083
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0069 0.0069
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0254 0.0373
Brugia malayi mbt repeat family protein 0.0058 0.0279 0.1402
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0279 0.143
Mycobacterium ulcerans bifunctional protein BirA 0.0308 0.2918 1
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Loa Loa (eye worm) hypothetical protein 0.0137 0.1114 0.585
Leishmania major S-adenosylhomocysteine hydrolase 0.0147 0.122 0.9667
Brugia malayi mbt repeat family protein 0.0058 0.0279 0.1402
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Brugia malayi biotin--acetyl-CoA-carboxylase ligase family protein 0.0151 0.1262 0.6618
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0147 0.122 1
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0132 0.1047
Schistosoma mansoni alpha-glucosidase 0.0169 0.1458 0.2137
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0147 0.122 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0109 0.089
Loa Loa (eye worm) hypothetical protein 0.0137 0.1114 0.585
Mycobacterium leprae POSSIBLE BIFUNCTIONAL PROTEIN BirA: BIOTIN OPERON REPRESSOR + BIOTIN--[ACETYL-COA-CARBOXYLASE] SYNTHETASE (BIOTIN--PROTEIN LIGAS 0.0137 0.1114 0.8389
Onchocerca volvulus Huntingtin homolog 0.0148 0.1232 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0254 0.0373
Loa Loa (eye worm) biotin protein ligase 1 0.0151 0.1262 0.6629
Trypanosoma cruzi Biotin--acetyl-CoA-carboxylase ligase, putative 0.0151 0.1262 1
Entamoeba histolytica adenosylhomocysteinase, putative 0.0147 0.122 0.9667
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0147 0.122 0.965
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.682 0.682
Schistosoma mansoni alpha glucosidase 0.0044 0.0132 0.0194
Trypanosoma brucei Biotin--acetyl-CoA-carboxylase ligase, putative 0.0151 0.1262 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0109 0.0376
Loa Loa (eye worm) hypothetical protein 0.0066 0.0363 0.1875
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0363 0.0363
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Brugia malayi Thioredoxin reductase 0.0037 0.0063 0.0257
Echinococcus granulosus intermediate filament protein 0.0033 0.0015 0.0022
Entamoeba histolytica hypothetical protein, conserved 0.0137 0.1114 0.8832
Loa Loa (eye worm) adenosylhomocysteinase 0.0147 0.122 0.6407
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0279 0.0409
Schistosoma mansoni lamin 0.0033 0.0015 0.0022
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0665 0.1525
Echinococcus multilocularis N terminal of biotin protein ligase 0.0137 0.1114 0.1114
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0132 0.0652
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0363 0.1848
Schistosoma mansoni biotin-protein ligase 0.0151 0.1262 0.185
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0566 0.1672
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0363 0.0533
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0132 0.0573
Loa Loa (eye worm) MBCTL1 0.0066 0.0363 0.1875
Echinococcus granulosus microtubule associated protein 2 0.0678 0.682 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.2066 0.2066
Schistosoma mansoni hypothetical protein 0.035 0.3365 0.4934
Echinococcus granulosus N terminal of biotin protein ligase 0.0137 0.1114 0.1634
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0109 0.089
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1747 0.9195
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0109 0.0376
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0279 0.0409
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0363 0.0533
Schistosoma mansoni adenosylhomocysteinase 0.0091 0.063 0.0923
Loa Loa (eye worm) hypothetical protein 0.0211 0.1899 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0063 0.0289
Mycobacterium tuberculosis Possible bifunctional protein BirA: biotin operon repressor + biotin--[acetyl-CoA-carboxylase] synthetase (biotin--protein ligas 0.0137 0.1114 0.3501
Schistosoma mansoni adenosylhomocysteinase 0.0091 0.063 0.0923
Treponema pallidum biotin--acetyl-CoA-carboxylase ligase 0.0322 0.3065 0.5
Onchocerca volvulus Huntingtin homolog 0.0148 0.1232 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0147 0.122 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.065 0.5153
Trypanosoma cruzi Biotin--acetyl-CoA-carboxylase ligase, putative 0.0151 0.1262 1
Leishmania major biotin/lipoate protein ligase-like protein 0.0151 0.1262 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.065 0.065
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.682 1
Schistosoma mansoni adenosylhomocysteinase 0.0147 0.122 0.1788
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0132 0.1047
Echinococcus granulosus 5'partial|biotin protein ligase 0.0137 0.1114 0.1634
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.065 0.4763
Entamoeba histolytica biotin--acetyl-CoA-carboxylase ligase, putative 0.0151 0.1262 1
Leishmania major hypothetical protein, conserved 0.0041 0.0109 0.086
Onchocerca volvulus 0.0058 0.0279 0.217
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0665 0.2005
Echinococcus granulosus adenosylhomocysteinase 0.0147 0.122 0.1788
Echinococcus multilocularis biotin protein ligase 0.0151 0.1262 0.1262
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.065 0.3371
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0132 0.1047
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0109 0.0109
Schistosoma mansoni alpha-glucosidase 0.0169 0.1458 0.2137
Echinococcus multilocularis musashi 0.0033 0.0015 0.0015
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0254 0.1269
Echinococcus granulosus survival motor neuron protein 1 0.0211 0.1899 0.2784
Giardia lamblia Hypothetical protein 0.0151 0.1262 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.065 0.4896
Loa Loa (eye worm) hypothetical protein 0.0033 0.0015 0.0033
Echinococcus multilocularis lamin dm0 0.0033 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0043 0.0126 0.0185
Schistosoma mansoni survival motor neuron protein 0.0043 0.0126 0.0185
Brugia malayi Adenosylhomocysteinase 0.0147 0.122 0.6395
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0063 0.0503
Wolbachia endosymbiont of Brugia malayi biotin-(acetyl-CoA carboxylase) ligase 0.0151 0.1262 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0279 0.143
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0363 0.0533
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0109 0.0528
Leishmania major trypanothione reductase 0.0037 0.0063 0.0503
Echinococcus granulosus lamin dm0 0.0033 0.0015 0.0022

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 0.398 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
EC50 (functional) = 5.668 uM PubChem BioAssay. Fluorescence-based cell-based high throughput dose response assay to identify agonists of the human trace amine associated receptor 1 (TAAR1). (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 9.394 uM PubChem BioAssay. Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 2.0787 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) 5.6234 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
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) 18.526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 50.1187 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
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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