Detailed information for compound 452732

Basic information

Technical information
  • TDR Targets ID: 452732
  • Name: 8-(furan-2-yl)-3-propyl-[1,2,4]triazolo[5,1-f ]purin-5-amine
  • MW: 283.289 | Formula: C13H13N7O
  • H donors: 1 H acceptors: 4 LogP: 1.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1cnc2c1nc(N)n1c2nc(n1)c1ccco1
  • InChi: 1S/C13H13N7O/c1-2-5-19-7-15-9-11(19)17-13(14)20-12(9)16-10(18-20)8-4-3-6-21-8/h3-4,6-7H,2,5H2,1H3,(H2,14,17)
  • InChiKey: NPTQSYGGTNAYGX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-(2-furyl)-3-propyl-[1,2,4]triazolo[5,1-f]purin-5-amine
  • [8-(2-furyl)-3-propyl-[1,2,4]triazolo[5,1-f]purin-5-yl]amine
  • 8-furan-2-yl-3-propyl-[1,2,4]triazolo[5,1-f]purin-5-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adenosine A2a receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0013 0.002 0.0049
Mycobacterium tuberculosis Conserved protein 0.0059 0.0687 0.0849
Schistosoma mansoni methyl-cpg binding protein mbd 0.0044 0.0466 0.0456
Trypanosoma brucei trypanothione reductase 0.022 0.3007 0.5207
Loa Loa (eye worm) thioredoxin reductase 0.022 0.3007 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0502 0.7075 0.8972
Loa Loa (eye worm) hypothetical protein 0.0059 0.0687 0.2259
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0089 0.1111 0.1388
Plasmodium falciparum histone acetyltransferase GCN5 0.0053 0.0599 0.1938
Echinococcus granulosus zinc finger protein 0.0057 0.0658 0.094
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0018 0.009 0.0115
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.002 0.0124 0.0133
Plasmodium vivax ferrodoxin reductase, putative 0.002 0.0124 0.0379
Echinococcus multilocularis dnaJ subfamily B 0.049 0.6903 1
Treponema pallidum fructose-bisphosphate aldolase 0.0181 0.245 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0044 0.0471 0.1858
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0093 0.1168 0.168
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0502 0.7075 0.8972
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0471 0.1539
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0056 0.064 0.2103
Loa Loa (eye worm) hypothetical protein 0.0059 0.0687 0.2259
Toxoplasma gondii selenide, water dikinase 0.002 0.0124 0.035
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0076 0.0932 0.1591
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0076 0.0932 0.3111
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0076 0.0932 0.1591
Mycobacterium ulcerans NADH dehydrogenase 0.002 0.0124 0.0356
Mycobacterium ulcerans esterase/lipase LipP 0.0059 0.0687 0.2275
Trichomonas vaginalis D-aminoacylase, putative 0.0059 0.0687 0.2805
Schistosoma mansoni ferritin 0.0027 0.0216 0.0206
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0076 0.0932 0.3055
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0044 0.0471 0.1539
Trypanosoma brucei ISWI complex protein 0.0039 0.0401 0.0664
Schistosoma mansoni acetyl-CoA synthetase 0.0013 0.002 0.001
Mycobacterium tuberculosis Conserved hypothetical protein 0.0216 0.2953 0.373
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0064 0.0756 0.2489
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.022 0.3007 0.3799
Echinococcus multilocularis ferritin 0.0027 0.0216 0.0298
Leishmania major NADH dehydrogenase, putative 0.002 0.0124 0.0182
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.002 0.0124 0.035
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0076 0.0932 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0027 0.0216 0.0249
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0161 0.215 0.3104
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0076 0.0932 0.0923
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0064 0.0756 0.3088
Schistosoma mansoni ferritin light chain 0.0027 0.0216 0.0206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0744 0.0735
Toxoplasma gondii hypothetical protein 0.0066 0.0788 0.2571
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.002 0.0124 0.0182
Schistosoma mansoni hypothetical protein 0.002 0.0124 0.0114
Brugia malayi Thioredoxin reductase 0.022 0.3007 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0665 0.1125
Plasmodium vivax acetyl-CoA synthetase, putative 0.0013 0.002 0.0031
Mycobacterium tuberculosis Probable hydrolase 0.0059 0.0687 0.0849
Mycobacterium ulcerans hypothetical protein 0.0059 0.0687 0.2275
Trichomonas vaginalis penicillin-binding protein, putative 0.0059 0.0687 0.2805
Loa Loa (eye worm) hypothetical protein 0.002 0.0124 0.038
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0076 0.0932 0.3077
Onchocerca volvulus 0.0013 0.002 0.0049
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.002 0.0124 0.0133
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0744 0.0735
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0558 0.7883 1
Brugia malayi beta-lactamase 0.0059 0.0687 0.2259
Mycobacterium tuberculosis Probable lipase LipD 0.0059 0.0687 0.0849
Loa Loa (eye worm) hypothetical protein 0.0117 0.1516 0.5023
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0059 0.0687 0.2275
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.002 0.0124 0.0507
Leishmania major 4-coumarate:coa ligase-like protein 0.0044 0.0471 0.0787
Schistosoma mansoni ferritin 0.0027 0.0216 0.0206
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.002 0.0124 0.0182
Brugia malayi glutathione reductase 0.022 0.3007 1
Mycobacterium ulcerans bacterioferritin BfrB 0.0027 0.0216 0.0668
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0058 0.0665 0.1125
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.011 0.01
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0687 0.1163
Trypanosoma cruzi trypanothione reductase, putative 0.0076 0.0932 0.1591
Loa Loa (eye worm) glutathione reductase 0.022 0.3007 1
Mycobacterium leprae conserved hypothetical protein 0.0059 0.0687 0.0849
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0284 0.0335
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0076 0.0932 1
Brugia malayi beta-lactamase family protein 0.0059 0.0687 0.2259
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.002 0.0124 0.038
Echinococcus multilocularis fetal alzheimer antigen, falz 0.006 0.0699 0.0999
Brugia malayi Pre-SET motif family protein 0.0019 0.011 0.0334
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0093 0.1168 0.168
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.002 0.0124 0.0356
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.002 0.0124 0.038
Trichomonas vaginalis set domain proteins, putative 0.0148 0.1964 0.8019
Plasmodium falciparum glutathione reductase 0.022 0.3007 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0744 0.1065
Brugia malayi PHD-finger family protein 0.0071 0.0856 0.2823
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Echinococcus multilocularis thioredoxin glutathione reductase 0.0223 0.305 0.441
Entamoeba histolytica acetyltransferase, GNAT family 0.0053 0.0599 0.2382
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0013 0.002 0.0032
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0264
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.002 0.0124 0.0165
Schistosoma mansoni cpg binding protein 0.0034 0.0329 0.0319
Loa Loa (eye worm) hypothetical protein 0.0044 0.0471 0.1538
Mycobacterium ulcerans ferredoxin reductase 0.002 0.0124 0.0356
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0124 0.0182
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.002 0.0124 0.0356
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0744 0.1065
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.002 0.0124 0.0133
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0076 0.0932 0.3076
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0058 0.0665 0.1125
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.002 0.0124 0.0356
Loa Loa (eye worm) hypothetical protein 0.0033 0.031 0.0999
Onchocerca volvulus 0.0059 0.0687 0.3464
Schistosoma mansoni sulfide quinone reductase 0.002 0.0124 0.0114
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0013 0.002 0.0014
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0329 0.1062
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0124 0.0182
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0076 0.0932 0.3111
Mycobacterium tuberculosis Probable oxidoreductase 0.0558 0.7883 1
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0471 0.1538
Plasmodium vivax acyl-CoA synthetase, putative 0.0033 0.031 0.0998
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0124 0.035
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0033 0.031 0.0988
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0379 0.5294 0.6708
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Schistosoma mansoni ferritin 0.0027 0.0216 0.0206
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0019 0.011 0.0303
Echinococcus granulosus thioredoxin glutathione reductase 0.0223 0.305 0.441
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0502 0.7075 0.8972
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0471 0.1538
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.002 0.0124 0.0133
Loa Loa (eye worm) hypothetical protein 0.0059 0.0687 0.2259
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.002 0.0124 0.0356
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0059 0.0687 0.2805
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0124 0.0507
Brugia malayi CXXC zinc finger family protein 0.0034 0.0329 0.1062
Trichomonas vaginalis glutamate synthase, putative 0.002 0.0124 0.0507
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0059 0.0687 0.0678
Mycobacterium ulcerans lipase LipD 0.0059 0.0687 0.2275
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Leishmania major mitochondrial DNA polymerase beta 0.0411 0.5757 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0059 0.0687 0.0982
Schistosoma mansoni bromodomain containing protein 0.0018 0.0089 0.0079
Onchocerca volvulus 0.0044 0.0471 0.2359
Loa Loa (eye worm) beta-lactamase 0.0059 0.0687 0.2259
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0076 0.0932 0.1338
Brugia malayi AMP-binding enzyme family protein 0.0013 0.002 0.0032
Echinococcus granulosus ferritin 0.0027 0.0216 0.0298
Mycobacterium ulcerans beta-lactamase 0.0059 0.0687 0.2275
Leishmania major hypothetical protein, conserved 0.002 0.0124 0.0182
Leishmania major trypanothione reductase 0.022 0.3007 0.5207
Schistosoma mansoni ferritin light chain 0.0027 0.0216 0.0206
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0124 0.0507
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.002 0.0124 0.0165
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0044 0.0471 0.0574
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0044 0.0471 0.0574
Leishmania major hypothetical protein, conserved 0.002 0.0124 0.0182
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0027 0.0216 0.1132
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0194 0.2636 0.456
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.002 0.0124 0.0182
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0033 0.031 0.0369
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Loa Loa (eye worm) hypothetical protein 0.0059 0.0687 0.2259
Trichomonas vaginalis antibiotic synthetase, putative 0.0013 0.002 0.0081
Loa Loa (eye worm) hypothetical protein 0.0044 0.0471 0.1538
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0019 0.011 0.01
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0181 0.245 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0089 0.1111 0.372
Mycobacterium tuberculosis Probable dehydrogenase 0.0502 0.7075 0.8972
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0687 0.1163
Mycobacterium ulcerans bacterioferritin BfrA 0.0027 0.0216 0.0668
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0076 0.0932 0.1591
Schistosoma mansoni glutamate synthase 0.002 0.0124 0.0114
Brugia malayi Bromodomain containing protein 0.02 0.2718 0.9036
Onchocerca volvulus 0.0148 0.1964 1
Plasmodium falciparum glutathione reductase 0.0076 0.0932 0.3055
Trichomonas vaginalis ferritin, putative 0.0027 0.0216 0.0881
Brugia malayi AMP-binding enzyme family protein 0.0013 0.002 0.0032
Schistosoma mansoni zinc finger protein 0.0039 0.0401 0.0391
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.002 0.0124 0.0182
Entamoeba histolytica disulphide oxidoreductase, putative 0.002 0.0124 0.043
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0076 0.0932 0.1161
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0471 0.1538
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0558 0.7883 1
Plasmodium vivax SET domain protein, putative 0.0019 0.011 0.0333
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0064 0.0756 0.2465
Plasmodium falciparum thioredoxin reductase 0.022 0.3007 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.002 0.0124 0.0182
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.002 0.0124 0.043
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.002 0.0124 0.035
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0181 0.245 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0013 0.002 0.0014
Mycobacterium ulcerans dehydrogenase 0.002 0.0124 0.0356
Echinococcus multilocularis expressed protein 0.0027 0.0216 0.0298
Leishmania major hypothetical protein, conserved 0.0059 0.0687 0.1163
Toxoplasma gondii histone lysine methyltransferase SET1 0.0077 0.094 0.3081
Schistosoma mansoni disulfide oxidoreductase 0.002 0.0124 0.0114
Loa Loa (eye worm) hypothetical protein 0.0059 0.0687 0.2259
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0284 0.0335
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0124 0.0507
Echinococcus granulosus beta LACTamase domain containing family member 0.0059 0.0687 0.0982
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.002 0.0124 0.0165
Mycobacterium leprae Probable lipase LipE 0.0059 0.0687 0.0849
Trypanosoma cruzi NADH dehydrogenase, putative 0.002 0.0124 0.0182
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0161 0.215 0.3104
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.002 0.0124 0.0507
Trichomonas vaginalis esterase, putative 0.0059 0.0687 0.2805
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0203 0.2763 0.2756
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0033 0.031 0.2294
Mycobacterium ulcerans hypothetical protein 0.0216 0.2953 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0471 0.1539
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0013 0.002 0.0032
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0076 0.0932 0.3111
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.002 0.0124 0.0165
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.002 0.0124 0.0133
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0076 0.0932 0.1591
Onchocerca volvulus 0.0013 0.002 0.0049
Trichomonas vaginalis D-aminoacylase, putative 0.0059 0.0687 0.2805
Loa Loa (eye worm) bromodomain containing protein 0.005 0.0559 0.183
Loa Loa (eye worm) hypothetical protein 0.0033 0.031 0.0999
Toxoplasma gondii thioredoxin reductase 0.022 0.3007 1
Giardia lamblia Histone acetyltransferase GCN5 0.0053 0.0599 0.204
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0124 0.0507
Trypanosoma cruzi ISWI complex protein 0.0039 0.0401 0.0664
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0076 0.0932 0.1591
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.002 0.0124 0.0182
Brugia malayi glutamate synthase 0.002 0.0124 0.038
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0059 0.0687 0.0678
Schistosoma mansoni glutamate synthase 0.002 0.0124 0.0114
Entamoeba histolytica acyl-coA synthetase, putative 0.0044 0.0471 0.1858
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0013 0.002 0.0081
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0076 0.0932 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.031 0.0999
Trichomonas vaginalis glutamate synthase, putative 0.002 0.0124 0.0507
Leishmania major hypothetical protein, conserved 0.002 0.0124 0.0182
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0284 0.0335
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0027 0.0216 0.0249
Echinococcus granulosus expressed protein 0.0027 0.0216 0.0298
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0059 0.0687 0.0849
Echinococcus multilocularis zinc finger protein 0.0057 0.0658 0.094
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0056 0.064 0.2103
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0124 0.0507
Trypanosoma cruzi trypanothione reductase, putative 0.022 0.3007 0.5207
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0044 0.0471 0.0574
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0411 0.5757 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0502 0.7075 0.8972
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0203 0.2763 0.3995
Schistosoma mansoni hypothetical protein 0.0053 0.0599 0.059
Schistosoma mansoni hypothetical protein 0.049 0.6903 0.6899
Mycobacterium tuberculosis Probable lipase LipE 0.0059 0.0687 0.0849
Onchocerca volvulus 0.0019 0.011 0.0513
Entamoeba histolytica acyl-CoA synthetase, putative 0.0044 0.0471 0.1858
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.002 0.0124 0.038
Trypanosoma brucei NADH dehydrogenase 0.002 0.0124 0.0182
Giardia lamblia Fructose-bisphosphate aldolase 0.0181 0.245 1
Schistosoma mansoni apoferritin-2 0.0027 0.0216 0.0206
Loa Loa (eye worm) hypothetical protein 0.0063 0.0744 0.245
Onchocerca volvulus 0.0059 0.0687 0.3464
Loa Loa (eye worm) acetyltransferase 0.0203 0.2763 0.9187
Onchocerca volvulus 0.0013 0.002 0.0049
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0411 0.5757 1
Toxoplasma gondii ABC1 family protein 0.0059 0.0687 0.2234
Mycobacterium ulcerans monoxygenase 0.002 0.0124 0.0356
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.002 0.0124 0.0356
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0076 0.0932 0.3076
Entamoeba histolytica thioredoxin reductase, putative 0.002 0.0124 0.043
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1416 0.4692
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0059 0.0687 0.0849
Loa Loa (eye worm) hypothetical protein 0.0033 0.031 0.0999
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.002 0.0124 0.0165
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.002 0.0124 0.0133
Loa Loa (eye worm) hypothetical protein 0.0099 0.1259 0.4165
Trichomonas vaginalis glutathione reductase, putative 0.0076 0.0932 0.3807
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0124 0.0182
Echinococcus multilocularis glutamate synthase 0.002 0.0124 0.0165
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Schistosoma mansoni hypothetical protein 0.0039 0.0401 0.0391
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0124 0.0182
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.002 0.0124 0.0165
Loa Loa (eye worm) programmed cell death 8 0.002 0.0124 0.038
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.002 0.0124 0.0165
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.002 0.0124 0.035
Trypanosoma cruzi ISWI complex protein 0.0039 0.0401 0.0664
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0124 0.035
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0076 0.0932 0.1591
Trichomonas vaginalis D-aminoacylase, putative 0.0059 0.0687 0.2805
Loa Loa (eye worm) PHD-finger family protein 0.0053 0.0599 0.1965
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0059 0.0687 0.2259
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.006 0.0699 0.0689
Schistosoma mansoni sulfide quinone reductase 0.002 0.0124 0.0114
Onchocerca volvulus 0.0034 0.0329 0.1629
Schistosoma mansoni bromodomain containing protein 0.017 0.2283 0.2275
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0044 0.0466 0.0662
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0059 0.0687 0.2259
Brugia malayi acetyltransferase, GNAT family protein 0.0203 0.2763 0.9187
Mycobacterium tuberculosis Conserved protein 0.0059 0.0687 0.0849
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0471 0.1539
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0124 0.035
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.002 0.0124 0.0379
Schistosoma mansoni apoferritin-2 0.0027 0.0216 0.0206
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0895 0.0886
Loa Loa (eye worm) hypothetical protein 0.0182 0.2461 0.8178
Schistosoma mansoni cpg binding protein 0.0041 0.0428 0.0418
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0019 0.011 0.0145
Toxoplasma gondii NADPH-glutathione reductase 0.0076 0.0932 0.3055
Brugia malayi AMP-binding enzyme family protein 0.0013 0.002 0.0032
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.002 0.0124 0.0133
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0124 0.0182
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0064 0.0756 0.2465
Trypanosoma brucei RNA helicase, putative 0.0205 0.279 0.4828
Schistosoma mansoni cpg binding protein 0.0041 0.0428 0.0418
Entamoeba histolytica glutamate synthase beta subunit, putative 0.002 0.0124 0.043
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.002 0.0124 0.035
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0032
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.002 0.0124 0.0507
Entamoeba histolytica glutamate synthase beta subunit, putative 0.002 0.0124 0.043
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0558 0.7883 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0044 0.0466 0.0456
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0076 0.0932 0.1338
Loa Loa (eye worm) hypothetical protein 0.0044 0.0471 0.1538
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0058 0.0665 0.1125
Loa Loa (eye worm) hypothetical protein 0.0059 0.0687 0.2259
Echinococcus granulosus methyl CpG binding domain protein 2 0.0044 0.0466 0.0662
Brugia malayi AMP-binding enzyme family protein 0.0013 0.002 0.0032
Echinococcus granulosus histone acetyltransferase KAT2B 0.0192 0.2596 0.3751
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.002 0.0124 0.043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.013 0.1707 0.5661
Trichomonas vaginalis apoptosis inducing factor, putative 0.002 0.0124 0.0507
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0411 0.5757 1
Leishmania major hypothetical protein, conserved 0.0039 0.0401 0.0664
Echinococcus granulosus sulfide:quinone oxidoreductase 0.002 0.0124 0.0165
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0076 0.0932 0.1591
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.002 0.0124 0.038
Trypanosoma cruzi NADH dehydrogenase, putative 0.002 0.0124 0.0182
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.002 0.0124 0.0165
Brugia malayi F/Y-rich N-terminus family protein 0.0016 0.0065 0.0182
Plasmodium vivax thioredoxin reductase, putative 0.022 0.3007 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0124 0.0507
Echinococcus multilocularis cpg binding protein 0.0041 0.0428 0.0606
Loa Loa (eye worm) oxidoreductase 0.0013 0.002 0.0032
Mycobacterium tuberculosis Conserved protein 0.0059 0.0687 0.0849
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0031 0.0284 0.0335
Treponema pallidum bacterioferrin (TpF1) 0.0027 0.0216 0.0393
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0013 0.002 0.0032
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.002 0.0124 0.0133
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0044 0.0471 0.0574
Plasmodium falciparum ferrodoxin reductase-like protein 0.002 0.0124 0.035
Leishmania major 4-coumarate:coa ligase-like protein 0.0044 0.0471 0.0787
Trichomonas vaginalis mercuric reductase, putative 0.0076 0.0932 0.3807
Plasmodium vivax glutathione reductase, putative 0.022 0.3007 1
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.002 0.0124 0.0356
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.007 0.0848 0.1443
Echinococcus granulosus dnaJ subfamily B 0.049 0.6903 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0044 0.0471 0.1539
Echinococcus granulosus fetal alzheimer antigen falz 0.006 0.0699 0.0999
Brugia malayi Bromodomain containing protein 0.0104 0.1326 0.4389
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0124 0.0182
Schistosoma mansoni hypothetical protein 0.0205 0.279 0.2782
Mycobacterium ulcerans glutamate synthase subunit beta 0.002 0.0124 0.0356
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.002 0.0124 0.0165
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.002 0.0032
Brugia malayi Pre-SET motif family protein 0.013 0.1707 0.5661
Mycobacterium ulcerans hypothetical protein 0.0044 0.0471 0.1539
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0194 0.2636 0.456
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.002 0.0124 0.043
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.002 0.0124 0.0165
Plasmodium falciparum thioredoxin reductase 0.0076 0.0932 0.3055
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0089 0.1111 0.1388
Echinococcus granulosus cpg binding protein 0.0041 0.0428 0.0606
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.002 0.0124 0.0507
Plasmodium falciparum acyl-CoA synthetase 0.0033 0.031 0.097
Schistosoma mansoni ferritin 0.0027 0.0216 0.0206
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0032
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0027 0.0216 0.0249
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0502 0.7075 0.8972
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0194 0.2636 0.456
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0059 0.0687 0.0849
Onchocerca volvulus 0.0059 0.0687 0.3464
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.002 0.0124 0.0133
Giardia lamblia NADH oxidase lateral transfer candidate 0.0076 0.0932 0.3475
Mycobacterium tuberculosis Probable reductase 0.0502 0.7075 0.8972
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.002 0.0124 0.0182
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.002 0.0124 0.0379
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0044 0.0471 0.1539
Mycobacterium ulcerans hypothetical protein 0.002 0.0124 0.0356
Trypanosoma brucei hypothetical protein, conserved 0.0059 0.0687 0.1163
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0124 0.0182
Plasmodium vivax hypothetical protein, conserved 0.0059 0.0687 0.2258
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.002 0.0124 0.0165
Schistosoma mansoni zinc finger protein 0.0057 0.0658 0.0648
Leishmania major 4-coumarate:coa ligase-like protein 0.0044 0.0471 0.0787
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0076 0.0932 0.3055
Schistosoma mansoni glutamate synthase 0.002 0.0124 0.0114
Echinococcus granulosus histone acetyltransferase KAT2B 0.0064 0.0756 0.1083
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.002 0.0124 0.0133
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0044 0.0471 0.1539
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0076 0.0932 0.1591
Mycobacterium tuberculosis Probable esterase LipL 0.0059 0.0687 0.0849
Loa Loa (eye worm) hypothetical protein 0.0033 0.031 0.0999
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0076 0.0932 0.3055
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0076 0.0932 0.1591
Echinococcus granulosus glutamate synthase 0.002 0.0124 0.0165
Onchocerca volvulus 0.002 0.0124 0.0584
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.002 0.0124 0.0356
Treponema pallidum NADH oxidase 0.0076 0.0932 0.3475
Trichomonas vaginalis bromodomain-containing protein, putative 0.0064 0.0756 0.3088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1
Brugia malayi beta-lactamase family protein 0.0059 0.0687 0.2259
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0181 0.245 1

Activities

Activity type Activity value Assay description Source Reference
Ki (functional) = 5.9 nM Antagonist activity at human adenosine A2A receptor ChEMBL. 17234414
Ki (functional) = 5.9 nM Antagonist activity at human adenosine A2A receptor ChEMBL. 17234414
Selectivity ratio (binding) = 50 Selectivity for human adenosine A2A receptor over human adenosine A1 receptor ChEMBL. 17234414

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.