Detailed information for compound 211611

Basic information

Technical information
  • TDR Targets ID: 211611
  • Name: 2-amino-7-(2-hydroxyethyl)-3H-purin-6-one
  • MW: 195.179 | Formula: C7H9N5O2
  • H donors: 3 H acceptors: 5 LogP: -1.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1cnc2c1c(O)nc(n2)N
  • InChi: 1S/C7H9N5O2/c8-7-10-5-4(6(14)11-7)12(1-2-13)3-9-5/h3,13H,1-2H2,(H3,8,10,11,14)
  • InChiKey: OCAWYYAMQRJCOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-azanyl-7-(2-hydroxyethyl)-3H-purin-6-one
  • N(7)-hydroxyethylguanine
  • 53498-52-5
  • 2-Amino-1,7-dihydro-7-(2-hydroxyethyl)-6H-purin-6-one
  • 6H-Purin-6-one, 2-amino-1,7-dihydro-7-(2-hydroxyethyl)-
  • 7-(2-Hydroxyethyl)guanine
  • 2-Amino-7-(2-hydroxyethyl)-7H-purin-6-ol
  • AIDS-160586
  • AIDS160586
  • NSC637506
  • NCI60_012421

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0025 0.0175 0.0129
Plasmodium vivax aspartyl protease, putative 0.0063 0.0661 0.1505
Schistosoma mansoni hypothetical protein 0.0025 0.0175 0.0043
Plasmodium falciparum glutathione reductase 0.0096 0.1081 0.2803
Loa Loa (eye worm) pax transcription factor protein 2 0.0098 0.1101 0.3229
Toxoplasma gondii aspartyl protease ASP1 0.0268 0.3291 0.9636
Echinococcus multilocularis thioredoxin glutathione reductase 0.0277 0.3408 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0134 0.1572 0.4393
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0025 0.0175 0.0129
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.1081 0.2803
Plasmodium falciparum plasmepsin II 0.0268 0.3291 0.9636
Brugia malayi hypothetical protein 0.0195 0.235 0.6896
Trypanosoma cruzi trypanothione reductase, putative 0.0277 0.3408 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.023 0.0177
Brugia malayi Glycosyl hydrolases family 31 protein 0.003 0.023 0.0674
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0096 0.1081 1
Entamoeba histolytica hypothetical protein 0.0028 0.0208 0.6047
Plasmodium falciparum plasmepsin VII 0.0063 0.0661 0.1505
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0022 0.0133 0.0389
Loa Loa (eye worm) MH2 domain-containing protein 0.0093 0.1045 0.3065
Schistosoma mansoni glutamate synthase 0.0025 0.0175 0.0043
Brugia malayi Pax transcription factor protein 2 0.0098 0.1101 0.3229
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Loa Loa (eye worm) hypothetical protein 0.0022 0.0127 0.0374
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0096 0.1081 0.2803
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0096 0.1081 0.2803
Echinococcus multilocularis geminin 0.0064 0.0664 0.1623
Brugia malayi hypothetical protein 0.0028 0.0208 0.061
Schistosoma mansoni hypothetical protein 0.004 0.0358 0.0228
Loa Loa (eye worm) aspartyl protease 6 0.0063 0.0661 0.194
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0025 0.0175 0.0129
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0268 0.3291 0.9641
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.023 0.0177
Plasmodium falciparum plasmepsin IX 0.0063 0.0661 0.1505
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0096 0.1081 1
Plasmodium vivax glutathione reductase, putative 0.0277 0.3408 1
Entamoeba histolytica hypothetical protein 0.0028 0.0208 0.6047
Brugia malayi hypothetical protein 0.0063 0.0661 0.194
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0096 0.1081 0.0961
Schistosoma mansoni sulfide quinone reductase 0.0025 0.0175 0.0043
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0025 0.0175 0.0129
Loa Loa (eye worm) hypothetical protein 0.0268 0.3291 0.9655
Brugia malayi glutamate synthase 0.0025 0.0175 0.0512
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Loa Loa (eye worm) hypothetical protein 0.0025 0.0175 0.0512
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0063 0.0661 0.1505
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.1081 0.2803
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.004 0.0358 0.1049
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.1081 0.2803
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0268 0.3291 0.9655
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0268 0.3291 0.9641
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0071 0.0754 0.2211
Echinococcus granulosus neutral alpha glucosidase AB 0.003 0.023 0.0297
Entamoeba histolytica hypothetical protein 0.0028 0.0208 0.6047
Schistosoma mansoni transcription factor LCR-F1 0.0028 0.0208 0.0076
Loa Loa (eye worm) glutathione reductase 0.0277 0.3408 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0096 0.1081 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0277 0.3408 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.003 0.023 0.017
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.1081 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Treponema pallidum NADH oxidase 0.0096 0.1081 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0096 0.1081 0.2803
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0268 0.3291 1
Loa Loa (eye worm) thioredoxin reductase 0.0277 0.3408 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Brugia malayi Intermediate filament tail domain containing protein 0.0022 0.0133 0.0389
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0268 0.3291 0.9636
Plasmodium falciparum thioredoxin reductase 0.0277 0.3408 1
Plasmodium falciparum plasmepsin IV 0.0268 0.3291 0.9636
Entamoeba histolytica hypothetical protein 0.0028 0.0208 0.6047
Loa Loa (eye worm) hypothetical protein 0.0063 0.0661 0.194
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Onchocerca volvulus 0.0025 0.0175 0.0435
Plasmodium vivax plasmepsin V, putative 0.0063 0.0661 0.1505
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0096 0.1081 0.2803
Schistosoma mansoni alpha-glucosidase 0.0115 0.1332 0.1215
Brugia malayi MH2 domain containing protein 0.0093 0.1045 0.3065
Trichomonas vaginalis mercuric reductase, putative 0.0096 0.1081 0.2909
Plasmodium falciparum glutathione reductase 0.0277 0.3408 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0025 0.0175 0.0512
Plasmodium vivax aspartyl protease, putative 0.0063 0.0661 0.1505
Loa Loa (eye worm) programmed cell death 8 0.0025 0.0175 0.0512
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0025 0.0175 0.0129
Brugia malayi glutathione reductase 0.0277 0.3408 1
Echinococcus granulosus survival motor neuron protein 1 0.0195 0.235 0.677
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0028 0.0208 0.023
Giardia lamblia NADH oxidase lateral transfer candidate 0.0096 0.1081 1
Schistosoma mansoni survival motor neuron protein 0.004 0.0358 0.0228
Echinococcus granulosus geminin 0.0064 0.0664 0.1623
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0096 0.1081 0.2803
Echinococcus multilocularis neutral alpha glucosidase AB 0.003 0.023 0.0297
Plasmodium vivax plasmepsin IV, putative 0.0268 0.3291 0.9636
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.023 0.0177
Echinococcus multilocularis lysosomal alpha glucosidase 0.0134 0.1572 0.4393
Plasmodium falciparum plasmepsin III 0.0063 0.0661 0.1505
Plasmodium vivax thioredoxin reductase, putative 0.0277 0.3408 1
Plasmodium falciparum thioredoxin reductase 0.0096 0.1081 0.2803
Onchocerca volvulus 0.0063 0.0661 0.5461
Schistosoma mansoni disulfide oxidoreductase 0.0025 0.0175 0.0043
Schistosoma mansoni alpha glucosidase 0.003 0.023 0.0099
Schistosoma mansoni cathepsin D (A01 family) 0.079 1 1
Schistosoma mansoni glutamate synthase 0.0025 0.0175 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0028 0.0208 0.023
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0096 0.1081 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Leishmania major alpha glucosidase II subunit, putative 0.003 0.023 0.017
Toxoplasma gondii NADPH-glutathione reductase 0.0096 0.1081 0.2803
Brugia malayi aspartic protease BmAsp-2, identical 0.0063 0.0661 0.194
Schistosoma mansoni glutamate synthase 0.0025 0.0175 0.0043
Echinococcus granulosus glutamate synthase 0.0025 0.0175 0.0129
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0096 0.1081 0.2803
Brugia malayi aspartic protease BmAsp-1, identical 0.0063 0.0661 0.194
Toxoplasma gondii aspartyl protease ASP3 0.0063 0.0661 0.1505
Brugia malayi Pepsin A precursor 0.0063 0.0661 0.194
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.003 0.023 1
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0025 0.0175 0.0129
Brugia malayi Glycosyl hydrolases family 31 protein 0.0134 0.1572 0.4611
Toxoplasma gondii thioredoxin reductase 0.0277 0.3408 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0277 0.3408 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0268 0.3291 0.32
Onchocerca volvulus 0.004 0.0358 0.2325
Echinococcus multilocularis lysosomal alpha glucosidase 0.0134 0.1572 0.4393
Schistosoma mansoni hypothetical protein 0.0064 0.0664 0.0539
Plasmodium vivax aspartyl proteinase, putative 0.0063 0.0661 0.1505
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0063 0.0661 0.194
Toxoplasma gondii aspartyl protease 0.0063 0.0661 0.1505
Trichomonas vaginalis sucrase-isomaltase, putative 0.003 0.023 0.0177
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0096 0.1081 0.2896
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0096 0.1081 0.2803
Plasmodium falciparum plasmepsin VI 0.0268 0.3291 0.9636
Loa Loa (eye worm) transcription factor SMAD2 0.0093 0.1045 0.3065
Trypanosoma brucei trypanothione reductase 0.0277 0.3408 1
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0025 0.0175 0.0512
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0096 0.1081 0.3172
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0025 0.0175 0.0129
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0025 0.0175 0.0129
Trichomonas vaginalis maltase-glucoamylase, putative 0.003 0.023 0.0177
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0025 0.0175 0.0129
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0025 0.0175 0.0129
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0025 0.0175 0.0512
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.023 0.017
Onchocerca volvulus 0.0063 0.0661 0.5461
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0096 0.1081 0.2803
Echinococcus multilocularis survival motor neuron protein 1 0.0195 0.235 0.677
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.023 0.0177
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0096 0.1081 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.003 0.023 0.0674
Loa Loa (eye worm) hypothetical protein 0.0195 0.235 0.6896
Brugia malayi hypothetical protein 0.0063 0.0661 0.194
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.023 0.0177
Plasmodium vivax aspartyl protease, putative 0.0063 0.0661 0.1505
Plasmodium vivax aspartyl proteinase, putative 0.0268 0.3291 0.9636
Echinococcus multilocularis glutamate synthase 0.0025 0.0175 0.0129
Loa Loa (eye worm) intermediate filament protein 0.0022 0.0133 0.0389
Trypanosoma brucei glucosidase, putative 0.003 0.023 0.017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0096 0.1081 0.2896
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0071 0.0754 0.2211
Onchocerca volvulus 0.0078 0.0845 0.7355
Schistosoma mansoni alpha-glucosidase 0.0115 0.1332 0.1215
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.023 0.017
Plasmodium falciparum plasmepsin X 0.0063 0.0661 0.1505
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0025 0.0175 0.0129
Trichomonas vaginalis alpha-glucosidase, putative 0.003 0.023 0.0177
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0096 0.1081 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.1081 0.2803
Schistosoma mansoni sulfide quinone reductase 0.0025 0.0175 0.0043
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.003 0.023 1
Leishmania major trypanothione reductase 0.0277 0.3408 1
Schistosoma mansoni hypothetical protein 0.0028 0.0208 0.0076
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Onchocerca volvulus 0.0098 0.1101 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0096 0.1081 0.2803
Plasmodium falciparum plasmepsin I 0.0268 0.3291 0.9636
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0025 0.0175 0.0129
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0134 0.1572 0.4611
Plasmodium falciparum plasmepsin VIII, putative 0.0063 0.0661 0.1505
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0025 0.0175 0.0512
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.003 0.023 0.0177
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0661 0.0536
Trichomonas vaginalis glutathione reductase, putative 0.0096 0.1081 0.2909
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Schistosoma mansoni hypothetical protein 0.0064 0.0664 0.0539
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0096 0.1081 0.2803
Schistosoma mansoni memapsin-2 (A01 family) 0.0063 0.0661 0.0536
Loa Loa (eye worm) hypothetical protein 0.0063 0.0661 0.194
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0096 0.1081 0.2803
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0096 0.1081 0.2803
Plasmodium falciparum plasmepsin V 0.0063 0.0661 0.1505
Brugia malayi Eukaryotic aspartyl protease family protein 0.0063 0.0661 0.194
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0096 0.1081 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0096 0.1081 0.2803
Brugia malayi Thioredoxin reductase 0.0277 0.3408 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0096 0.1081 1
Brugia malayi intermediate filament protein 0.0022 0.0133 0.0389
Loa Loa (eye worm) hypothetical protein 0.0022 0.0133 0.0389

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Activity against P. berghei in mice. ChEMBL. 6991691
Activity (binding) Ability to inhibit hypoxanthine-guanine phosphoribosyltransferase in crude extracts of H.Ep.-2 cells. ChEMBL. 6991691
Activity (functional) Not significant 0 Activity against P. berghei in mice. ChEMBL. 6991691
Activity (binding) NI 0 Ability to inhibit hypoxanthine-guanine phosphoribosyltransferase in crude extracts of H.Ep.-2 cells. ChEMBL. 6991691
GI50 (functional) -4 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) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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) -4 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) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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

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.

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