Detailed information for compound 102810

Basic information

Technical information
  • TDR Targets ID: 102810
  • Name: 3,7-dihydropurine-2,6-dione
  • MW: 152.111 | Formula: C5H4N4O2
  • H donors: 3 H acceptors: 3 LogP: -0.75 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c(=O)c2c([nH]1)[nH]cn2
  • InChi: 1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
  • InChiKey: LRFVTYWOQMYALW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • xanthine
  • 7H-xanthine
  • 16819-86-6
  • 28522-58-9
  • 33669-67-9
  • 42911-15-9
  • 6050-36-8
  • 6053-41-4
  • 69-89-6
  • AIDS097636
  • ZINC04261793
  • nchembio.2007.33-comp41
  • 3,9-dihydro-1H-purine-2,6-dione
  • 9H-xanthine
  • CHEBI:17712
  • SBB004054
  • 9H-Purine-2,6(1H,3H)-dione
  • NCGC00164338-01
  • Purine-2,6(1H,3H)-dione
  • AIDS-097636
  • 1-H-purine-2,6-dione, 3,7-dihydro(9CI)
  • X7375_SIGMA
  • 2,6-dioxopurine
  • 2-Oxohypoxanthine
  • ARONIS008606
  • AIDS-045525
  • AIDS045525
  • CCRIS 994
  • SDCCGMLS-0065805.P001
  • X4002_SIGMA
  • NSC14664
  • X1751_SIGMA
  • X0626_SIGMA
  • Xanthine-2-14C
  • 1H-Purine-2,6-diol
  • 1H-Purine-2,6-dione, 3,7-dihydro-
  • 2,6(1,3)-Purinedion
  • 2,6-Dioxo-1,2,3,6-tetrahydropurine
  • 3,7-Dihydro-1H-purine-2,6-dione
  • 9H-Purine-2,6-(1H,3H)-dione
  • 9H-Purine-2,6-diol
  • AI3-52268
  • EINECS 200-718-6
  • EPA Pesticide Chemical Code 116900
  • Isoxanthine
  • NSC 14664
  • Pseudoxanthine
  • Purine-2(3H),6(1H)-dione
  • Purine-2,6-(1H,3H)-dione
  • Purine-2,6-diol
  • USAF CB-17
  • XAN
  • Xanthic oxide
  • Xanthin
  • Xanthine (VAN) (8CI)
  • C00385
  • Oprea1_474175
  • 3,9-Dihydro-purine-2,6-dione
  • ZINC00895213
  • MolMap_000070

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References
Trypanosoma cruzi trypanothione reductase, putative Curated by TDR Targets References
Homo sapiens guanine deaminase Starlite/ChEMBL References
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis protein ssnA, putative Get druggable targets OG5_127281 All targets in OG5_127281
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase Get druggable targets OG5_127281 All targets in OG5_127281
Trypanosoma brucei guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Leishmania donovani guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania major guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania mexicana guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Candida albicans putative guanine deaminase Get druggable targets OG5_127281 All targets in OG5_127281
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense guanine deaminase, putative,guanase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Leishmania braziliensis guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Candida albicans hypothetical protein Get druggable targets OG5_127281 All targets in OG5_127281
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis protein ssnA, putative Get druggable targets OG5_127281 All targets in OG5_127281
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum guanine deaminase, putative Get druggable targets OG5_127281 All targets in OG5_127281
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast trypanothione reductase, putative 492 aa 548 aa 21.5 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2026 0.2026
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.2362 0.197
Trichomonas vaginalis protein ssnA, putative 0.0157 0.9506 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0076 0.4142 0.4508
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.2362 0.2362
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.2362 0.4617
Onchocerca volvulus 0.0014 0 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0026 0.0835 0.0878
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0835 0.0254
Echinococcus multilocularis imidazolonepropionase 0.0023 0.0609 0.0609
Trichomonas vaginalis hypothetical protein 0.0023 0.0609 0.064
Toxoplasma gondii thioredoxin reductase 0.0076 0.4142 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.2362 0.197
Echinococcus granulosus dihydropyrimidinase 2 0.0023 0.0609 0.0662
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0835 0.0835
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0835 1
Leishmania major guanine deaminase, putative 0.0157 0.9506 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0026 0.0835 0.2015
Echinococcus multilocularis dihydropyrimidinase 0.0023 0.0609 0.0609
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0026 0.0835 0.0878
Trichomonas vaginalis glutathione reductase, putative 0.0026 0.0835 0.0878
Brugia malayi Thioredoxin reductase 0.0076 0.4142 0.9158
Trypanosoma brucei guanine deaminase, putative 0.0157 0.9506 1
Brugia malayi glutathione reductase 0.0076 0.4142 0.9158
Onchocerca volvulus 0.0014 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.2362 0.197
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.9189 0.9189
Plasmodium falciparum glutathione reductase 0.0076 0.4142 1
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.2362 0.257
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.9189 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0019 0.0369 0.0816
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.2362 0.5221
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0835 0.0254
Brugia malayi Amidohydrolase family protein 0.0023 0.0609 0.1345
Loa Loa (eye worm) hypothetical protein 0.0082 0.4523 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0835 0.0908
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.2362 0.197
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.2362 0.197
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Trypanosoma brucei protein kinase, putative 0.0049 0.2362 0.197
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0026 0.0835 0.064
Mycobacterium ulcerans n-acetylglucosamine-6-phosphate deacetylase NagA 0.0023 0.0609 0.064
Echinococcus multilocularis dihydropyrimidinase protein 4 0.0023 0.0609 0.0609
Schistosoma mansoni dihydropyrimidinase related protein-1 (M38 family) 0.0023 0.0609 0.0609
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0835 1
Trichomonas vaginalis aminohydrolase, putative 0.0023 0.0609 0.064
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0835 0.1845
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0026 0.0835 0.2015
Loa Loa (eye worm) glutathione reductase 0.0076 0.4142 0.9158
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2026 0.2205
Schistosoma mansoni hypothetical protein 0.0023 0.0609 0.0609
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.2362 0.257
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.4523 0.4523
Echinococcus granulosus imidazolonepropionase 0.0023 0.0609 0.0662
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0026 0.0835 0.0254
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0023 0.0609 0.064
Trichomonas vaginalis protein ssnA, putative 0.0157 0.9506 1
Loa Loa (eye worm) thioredoxin reductase 0.0076 0.4142 0.9158
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2362 0.2484
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2026 0.2026
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Echinococcus multilocularis dihydropyrimidinase 2 0.0023 0.0609 0.0609
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2362 0.2484
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0026 0.0835 0.0254
Schistosoma mansoni hypothetical protein 0.0152 0.9189 0.9189
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0026 0.0835 1
Plasmodium falciparum thioredoxin reductase 0.0076 0.4142 1
Trypanosoma brucei guanine deaminase, putative 0.0157 0.9506 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0026 0.0835 0.0254
Mycobacterium tuberculosis Conserved protein 0.0023 0.0609 0.1469
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0026 0.0835 0.0254
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2362 0.2484
Mycobacterium tuberculosis Probable oxidoreductase 0.0026 0.0835 0.2015
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0835 0.0835
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.2362 1
Entamoeba histolytica guanine deaminase, putative 0.0157 0.9506 1
Echinococcus granulosus carboxylesterase 5A 0.0082 0.4523 0.4923
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.2362 0.2362
Onchocerca volvulus 0.0014 0 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0076 0.4142 1
Leishmania major trypanothione reductase 0.0076 0.4142 0.3972
Echinococcus multilocularis acetylcholinesterase 0.0082 0.4523 0.4523
Treponema pallidum NADH oxidase 0.0026 0.0835 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0026 0.0835 0.0878
Mycobacterium ulcerans dihydroorotase 0.0023 0.0609 0.064
Trypanosoma brucei trypanothione reductase 0.0076 0.4142 0.3972
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0023 0.0609 0.0609
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.2026 0.4479
Echinococcus granulosus acetylcholinesterase 0.0082 0.4523 0.4923
Schistosoma mansoni dihydropyrimidinase related protein-2 (M38 family) 0.0023 0.0609 0.0609
Trichomonas vaginalis mercuric reductase, putative 0.0026 0.0835 0.0878
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0019 0.0369 0.0816
Brugia malayi MAP kinase sur-1 0.0049 0.2362 0.5221
Brugia malayi Carboxylesterase family protein 0.0082 0.4523 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2026 0.2026
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0835 0.0254
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.4523 0.4523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2026 0.2026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2026 0.2205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2026 0.2026
Trypanosoma cruzi trypanothione reductase, putative 0.0076 0.4142 0.3972
Brugia malayi Carboxylesterase family protein 0.0082 0.4523 1
Onchocerca volvulus 0.0014 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0082 0.4523 0.4923
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Onchocerca volvulus 0.0014 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.2026 0.4479
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0026 0.0835 0.064
Trypanosoma cruzi trypanothione reductase, putative 0.0026 0.0835 0.0254
Echinococcus multilocularis acetylcholinesterase 0.0082 0.4523 0.4523
Loa Loa (eye worm) carboxylesterase 0.0082 0.4523 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0835 0.0254
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.2362 0.197
Loa Loa (eye worm) amidohydrolase 0.0023 0.0609 0.1345
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.4523 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0076 0.4142 0.4142
Mycobacterium ulcerans urease subunit alpha 0.0023 0.0609 0.064
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0076 0.4142 1
Trichomonas vaginalis guanine deaminase, putative 0.0157 0.9506 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0026 0.0835 0.2015
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0157 0.9506 1
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.2362 0.2362
Trypanosoma cruzi guanine deaminase, putative 0.0157 0.9506 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0835 0.5
Echinococcus granulosus dihydropyrimidinase protein 4 0.0023 0.0609 0.0662
Echinococcus granulosus dihydropyrimidinase 0.0023 0.0609 0.0662
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0023 0.0609 0.0609
Trypanosoma cruzi guanine deaminase, putative 0.0157 0.9506 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0023 0.0609 0.0609
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.2362 0.2484
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.2362 0.197
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0023 0.0609 0.1469
Mycobacterium ulcerans imidazolonepropionase 0.0023 0.0609 0.064
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0835 0.0254
Mycobacterium ulcerans hypothetical protein 0.0023 0.0609 0.064
Loa Loa (eye worm) hypothetical protein 0.0082 0.4523 1
Plasmodium vivax glutathione reductase, putative 0.0076 0.4142 1
Schistosoma mansoni hypothetical protein 0.0023 0.0609 0.0609

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of Escherichia coli thymidine phosphorylase at 158 uM ChEMBL. 17870212
Activity (functional) Antimalarial activity against Plasmodium falciparum 3D7 at 130 uM ChEMBL. 17149876
Activity (functional) Inhibition of [3H]hypoxanthine uptake into Plasmodium falciparum 3D7 at 130 uM ChEMBL. 17149876
Activity (binding) Activity at bovine milk xanthine oxidase assessed as reduction of cytochrome c and phenazine methosulfate ChEMBL. 2778
Activity (binding) Activity at bovine milk xanthine oxidase assessed as reduction of 2,6-dichlorophenol-indophenol ChEMBL. 2778
Activity (functional) 0 Inhibition of [3H]hypoxanthine uptake into Plasmodium falciparum 3D7 at 130 uM ChEMBL. 17149876
Activity (functional) 0 Antimalarial activity against Plasmodium falciparum 3D7 at 130 uM ChEMBL. 17149876
Broncho selectivity (functional) = 1 Ratio of stimulatory activity in right atrium to relaxant activity in tracheal muscle ChEMBL. 1331453
EC15 (functional) > 100 uM Positive chronotropic effect on isolated guinea pig right atrium (heart stimulation). ChEMBL. 1331453
EC15 (functional) > 100 uM Positive chronotropic effect on isolated guinea pig right atrium (heart stimulation). ChEMBL. 1331453
EC50 (functional) > 100 uM Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains. ChEMBL. 1331453
EC50 (functional) > 100 uM Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains. ChEMBL. 1331453
GI (functional) Antiapicomplexan activity against Toxoplasma gondii THdhxgTRP tachyzoites harboring insertional mutation assessed as growth inhibition after 6 weeks ChEMBL. 22970937
IC50 (binding) = 3.6 mM Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes ChEMBL. 11754581
IC50 (binding) = 3.6 mM Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes ChEMBL. 11754581
IC50 (binding) = 9 uM Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method ChEMBL. 23791077
IC50 (binding) > 50 uM Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method ChEMBL. 23791077
Inhibition (binding) Inhibition of GDA-mediated microtubule assembly ChEMBL. 20716488
Insulin release (functional) = 3.5 ng/islet/h Insulin release in rat pancreatic beta-cells after 15 minutes of administration of the compound at 1 mM was measured ChEMBL. 15686937
Insulin release (functional) = 7.72 ng/islet/h Insulin release in rat pancreatic beta-cells (PBS-rinsing of the islets) after 15 minutes of administration of the compound at 1 mM was measured ChEMBL. 15686937
K ass (binding) = 0 M-1 Binding affinity to DNA intercalator Acridine orange. ChEMBL. 11741482
Ki (binding) = 1.96 uM Inhibition of GDA by colorimetric assay ChEMBL. 20716488
Ki (functional) = 130 uM Inhibition of adenosine stimulated accumulation of cyclic AMP at Adenosine A2 receptor of VA13 fibroblasts of rat ChEMBL. 3172141
Ki (functional) = 130 uM Inhibition of adenosine stimulated accumulation of cyclic AMP at Adenosine A2 receptor of VA13 fibroblasts of rat ChEMBL. 3172141
Ki (binding) > 200 uM Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle ChEMBL. 1331453
Ki (binding) > 200 uM Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. ChEMBL. 1331453
Ki (binding) > 200 uM Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle ChEMBL. 1331453
Ki (binding) > 200 uM Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX. ChEMBL. 1331453
Km (binding) = 21.4 uM Activity of bovine xanthine oxidase ChEMBL. 17870212
Km(app) (binding) Inhibition of human HGPRT at pH 7.4 ChEMBL. 17149876
Km(app) (binding) Inhibition of human HGPRT at pH 8.5 ChEMBL. 17149876
Km(app) (binding) 0 Inhibition of human HGPRT at pH 7.4 ChEMBL. 17149876
Km(app) (binding) 0 Inhibition of human HGPRT at pH 8.5 ChEMBL. 17149876
Km(app) (binding) = 189 uM Inhibition of Plasmodium falciparum HGXPRT at pH 7.4 ChEMBL. 17149876
Km(app) (binding) = 420 uM Inhibition of Plasmodium falciparum HGXPRT at pH 8.5 ChEMBL. 17149876
pKa (functional) = 7.7 Acid dissociation constant of the compound was determined ChEMBL. 15686937
Potency (functional) 0.0501 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potentiation (functional) = 41 % Compound was screened for their ability to potentiate [Ca2+] release induced by cADRP(an endogenous modulator of ryanodine receptor) in sea urchin egg homogenates at a concentration of 2 mM ChEMBL. 10411473
Vmax (binding) = 2.768 microM/min Activity of bovine xanthine oxidase ChEMBL. 17870212

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.
 
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External resources for this compound

Bibliographic References

27 literature references were collected for this gene.

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