Detailed information for compound 1221957

Basic information

Technical information
  • TDR Targets ID: 1221957
  • Name: 8-(2-aminophenoxy)-1,3,7-trimethylpurine-2,6- dione
  • MW: 301.301 | Formula: C14H15N5O3
  • H donors: 1 H acceptors: 3 LogP: 0.75 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C
  • InChi: 1S/C14H15N5O3/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-7-5-4-6-8(9)15/h4-7H,15H2,1-3H3
  • InChiKey: GWYXWAVJYGUPDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-(2-aminophenoxy)-1,3,7-trimethyl-purine-2,6-dione
  • 8-(2-aminophenoxy)-1,3,7-trimethyl-xanthine
  • 8-(2-aminophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
  • MLS000974524
  • SMR000498162
  • ZINC00528661
  • A3572/0151562

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 granulosus guanine nucleotide binding protein Gs subunit 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
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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis penicillin-binding protein, putative 0.0152 0.0688 0.0834
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0041 0.0038 0.0078
Mycobacterium tuberculosis Probable lipase LipD 0.0152 0.0688 0.0815
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0152 0.0688 0.0815
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.0688 1
Onchocerca volvulus 0.0125 0.0527 0.0885
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0152 0.0688 0.1414
Loa Loa (eye worm) beta-lactamase 0.0152 0.0688 0.1414
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0016 0.0016
Echinococcus granulosus histone lysine methyltransferase setb 0.0125 0.0527 0.0527
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0125 0.0527 0.6376
Echinococcus granulosus beta LACTamase domain containing family member 0.0152 0.0688 0.0688
Echinococcus granulosus microtubule associated protein 2 0.1461 0.8311 0.8311
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0041 0.0038 0.0046
Schistosoma mansoni thyroid hormone receptor 0.0549 0.2999 0.3609
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0202 0.0976 1
Plasmodium falciparum glutathione reductase 0.008 0.0264 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0122 0.0147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0122 0.0147
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.087 0.4868 1
Plasmodium vivax SET domain protein, putative 0.0125 0.0527 0.6206
Brugia malayi beta-lactamase family protein 0.0152 0.0688 0.1414
Loa Loa (eye worm) steroid hormone receptor 0.0041 0.0038 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0038 0.0078
Brugia malayi photoreceptor-specific nuclear receptor 0.0041 0.0038 0.0078
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0168 0.1313
Echinococcus granulosus lamin 0.011 0.044 0.044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0038 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0038 0.0078
Plasmodium falciparum thioredoxin reductase 0.008 0.0264 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0041 0.0038 0.0046
Echinococcus granulosus lamin dm0 0.011 0.044 0.044
Trypanosoma cruzi hypothetical protein, conserved 0.0152 0.0688 1
Brugia malayi cytoplasmic intermediate filament protein 0.0059 0.0143 0.0294
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0244 0.2585
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0041 0.0038 0.0078
Brugia malayi Intermediate filament tail domain containing protein 0.011 0.044 0.0905
Brugia malayi steroid hormone receptor 0.0041 0.0038 0.0078
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0125 0.0527 0.0527
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0152 0.0688 0.0828
Trypanosoma brucei hypothetical protein, conserved 0.0152 0.0688 1
Leishmania major trypanothione reductase 0.008 0.0264 0.1847
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0182 0.0858 0.114
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0168 0.1313
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0041 0.0038 0.0046
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0182 0.0858 0.114
Brugia malayi Pre-SET motif family protein 0.0125 0.0527 0.1083
Echinococcus granulosus intermediate filament protein 0.011 0.044 0.044
Mycobacterium tuberculosis Conserved protein 0.0152 0.0688 0.0815
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0122 0.0122
Brugia malayi ecdysteroid receptor 0.0041 0.0038 0.0078
Loa Loa (eye worm) hypothetical protein 0.0152 0.0688 0.1414
Loa Loa (eye worm) hypothetical protein 0.0152 0.0688 0.1414
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0041 0.0038 0.0038
Trichomonas vaginalis penicillin-binding protein, putative 0.0152 0.0688 0.0834
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0974 0.5472 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0343 0.18 0.18
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Echinococcus multilocularis microtubule associated protein 2 0.1461 0.8311 0.8311
Mycobacterium ulcerans beta-lactamase 0.0152 0.0688 0.5
Schistosoma mansoni coup transcription factor 0.0041 0.0038 0.0046
Brugia malayi Steroid receptor seven-up type 2 0.0041 0.0038 0.0078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0122 0.0122
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0041 0.0038 0.0078
Loa Loa (eye worm) hypothetical protein 0.0152 0.0688 0.1414
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0125 0.0527 0.0634
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0038 0.0038
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0168 0.1313
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0041 0.0038 0.0038
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0136 0.0781
Echinococcus multilocularis beta LACTamase domain containing family member 0.0152 0.0688 0.0688
Plasmodium vivax hypothetical protein, conserved 0.0152 0.0688 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0076 0.0244 0.0501
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.012 0.05 0.05
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0041 0.0038 0.0078
Schistosoma mansoni hypothetical protein 0.0508 0.2761 0.3323
Loa Loa (eye worm) transcription factor SMAD2 0.0503 0.2731 0.561
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0041 0.0038 0.0038
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0038 0.0038
Mycobacterium tuberculosis Conserved protein 0.0152 0.0688 0.0815
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0125 0.0527 0.0634
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0041 0.0038 0.0046
Schistosoma mansoni alpha-glucosidase 0.0295 0.1521 0.183
Schistosoma mansoni cellular tumor antigen P53 0.0256 0.1293 0.1556
Trichomonas vaginalis esterase, putative 0.0152 0.0688 0.0834
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Brugia malayi hypothetical protein 0.0037 0.0016 0.0032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0122 0.0251
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Echinococcus granulosus thioredoxin glutathione reductase 0.0081 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0152 0.0688 0.1414
Schistosoma mansoni steroid hormone receptor ad4bp 0.0041 0.0038 0.0046
Schistosoma mansoni lamin 0.011 0.044 0.053
Trypanosoma brucei trypanothione reductase 0.008 0.0264 0.1847
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0152 0.0688 0.0815
Brugia malayi Glycosyl hydrolases family 31 protein 0.0343 0.18 0.3697
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0122 0.0251
Echinococcus granulosus neutral alpha glucosidase AB 0.0076 0.0244 0.0244
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0508 0.2761 0.2761
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0041 0.0038 0.0078
Schistosoma mansoni nuclear hormone receptor 0.0041 0.0038 0.0046
Mycobacterium tuberculosis Probable esterase LipL 0.0152 0.0688 0.0815
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0152 0.0688 0.0828
Mycobacterium tuberculosis Probable reductase 0.0182 0.0858 0.114
Brugia malayi Pre-SET motif family protein 0.087 0.4868 1
Onchocerca volvulus 0.0152 0.0688 0.1176
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0041 0.0038 0.0078
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0125 0.0527 0.0527
Brugia malayi beta-lactamase family protein 0.0152 0.0688 0.1414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0041 0.0038 0.0078
Loa Loa (eye worm) hypothetical protein 0.0256 0.1293 0.2657
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0041 0.0038 0.0078
Brugia malayi nuclear hormone receptor 0.0041 0.0038 0.0078
Onchocerca volvulus 0.011 0.044 0.0728
Echinococcus multilocularis musashi 0.011 0.044 0.044
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0041 0.0038 0.0078
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0182 0.0858 0.114
Loa Loa (eye worm) hypothetical protein 0.011 0.044 0.0905
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0122 0.0122
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0038 0.0078
Onchocerca volvulus 0.011 0.044 0.0728
Echinococcus granulosus ecdysone induced protein 78C 0.0041 0.0038 0.0038
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0076 0.0244 0.0501
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0244 0.2585
Leishmania major alpha glucosidase II subunit, putative 0.0076 0.0244 0.1464
Brugia malayi beta-lactamase 0.0152 0.0688 0.1414
Trichomonas vaginalis D-aminoacylase, putative 0.0152 0.0688 0.0834
Trichomonas vaginalis D-aminoacylase, putative 0.0152 0.0688 0.0834
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0041 0.0038 0.0038
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0182 0.0858 0.5897
Brugia malayi nuclear receptor NHR-88 0.0041 0.0038 0.0078
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0202 0.0976 0.1367
Schistosoma mansoni alpha glucosidase 0.0076 0.0244 0.0294
Loa Loa (eye worm) hypothetical protein 0.0053 0.0109 0.0224
Schistosoma mansoni intermediate filament proteins 0.011 0.044 0.053
Brugia malayi glutathione reductase 0.008 0.0264 0.0542
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0016 0.0019
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0343 0.18 0.3697
Schistosoma mansoni RAR-like nuclear receptor 0.0041 0.0038 0.0046
Trypanosoma brucei glucosidase, putative 0.0076 0.0244 0.1464
Echinococcus multilocularis thioredoxin glutathione reductase 0.0081 0.027 0.027
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0016 0.0016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0038 0.0078
Brugia malayi intermediate filament protein 0.011 0.044 0.0905
Toxoplasma gondii ABC1 family protein 0.0152 0.0688 1
Echinococcus multilocularis lamin 0.011 0.044 0.044
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0076 0.0244 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0429 0.0881
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0041 0.0038 0.0078
Echinococcus multilocularis tumor protein p63 0.1751 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.008 0.0264 0.2918
Mycobacterium tuberculosis Probable dehydrogenase 0.0182 0.0858 0.114
Echinococcus multilocularis lysosomal alpha glucosidase 0.0343 0.18 0.18
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Schistosoma mansoni alpha-glucosidase 0.0295 0.1521 0.183
Schistosoma mansoni hypothetical protein 0.0037 0.0016 0.0019
Echinococcus granulosus lysosomal alpha glucosidase 0.0343 0.18 0.18
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0053 0.0109 0.0109
Echinococcus multilocularis thyroid hormone receptor alpha 0.0549 0.2999 0.2999
Onchocerca volvulus 0.0256 0.1293 0.227
Onchocerca volvulus 0.0152 0.0688 0.1176
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0041 0.0038 0.0038
Schistosoma mansoni lamin 0.011 0.044 0.053
Loa Loa (eye worm) hypothetical protein 0.0051 0.0098 0.02
Echinococcus multilocularis FTZ F1 alpha 0.0041 0.0038 0.0038
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0508 0.2761 0.2761
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0122 0.0122
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0152 0.0688 0.1414
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0041 0.0038 0.0038
Mycobacterium ulcerans lipase LipD 0.0152 0.0688 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Echinococcus granulosus FTZ F1 alpha 0.0041 0.0038 0.0038
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0168 0.1313
Onchocerca volvulus 0.099 0.5568 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0152 0.0688 0.0815
Loa Loa (eye worm) hypothetical protein 0.0152 0.0688 0.1414
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0041 0.0038 0.0046
Loa Loa (eye worm) hypothetical protein 0.0125 0.0527 0.1083
Loa Loa (eye worm) intermediate filament protein 0.011 0.044 0.0905
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0125 0.0527 0.0634
Echinococcus multilocularis ecdysone induced protein 78C 0.0041 0.0038 0.0038
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0041 0.0038 0.0038
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0038 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0122 0.0147
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0041 0.0038 0.0038
Mycobacterium tuberculosis Probable oxidoreductase 0.0202 0.0976 0.1367
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0078
Echinococcus multilocularis lamin dm0 0.011 0.044 0.044
Toxoplasma gondii thioredoxin reductase 0.008 0.0264 0.0449
Trichomonas vaginalis D-aminoacylase, putative 0.0152 0.0688 0.0834
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0041 0.0038 0.0078
Schistosoma mansoni thyroid hormone receptor 0.0549 0.2999 0.3609
Loa Loa (eye worm) hypothetical protein 0.0051 0.0098 0.02
Onchocerca volvulus 0.0199 0.0957 0.1661
Loa Loa (eye worm) MH2 domain-containing protein 0.0503 0.2731 0.561
Trichomonas vaginalis set domain proteins, putative 0.099 0.5568 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0182 0.0858 0.114
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0041 0.0038 0.0046
Onchocerca volvulus 0.0152 0.0688 0.1176
Mycobacterium tuberculosis Probable lipase LipE 0.0152 0.0688 0.0815
Mycobacterium ulcerans hypothetical protein 0.0152 0.0688 0.5
Leishmania major hypothetical protein, conserved 0.0152 0.0688 1
Loa Loa (eye worm) glutathione reductase 0.008 0.0264 0.0542
Mycobacterium ulcerans esterase/lipase LipP 0.0152 0.0688 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0059 0.0143 0.0294
Loa Loa (eye worm) thioredoxin reductase 0.008 0.0264 0.0542
Brugia malayi Thioredoxin reductase 0.008 0.0264 0.0542
Echinococcus multilocularis neutral alpha glucosidase AB 0.0076 0.0244 0.0244
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0202 0.0976 0.1367
Loa Loa (eye worm) hypothetical protein 0.0152 0.0688 0.1414
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0041 0.0038 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0041 0.0038 0.0078
Brugia malayi MH2 domain containing protein 0.0503 0.2731 0.561
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0041 0.0038 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0041 0.0038 0.0078
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0152 0.0688 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0125 0.0527 0.0634
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.011 0.044 0.0905
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0076 0.0244 1
Schistosoma mansoni microtubule-associated protein tau 0.1461 0.8311 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0041 0.0038 0.0038
Mycobacterium tuberculosis Conserved protein 0.0152 0.0688 0.0815
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0041 0.0038 0.0078
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0041 0.0038 0.0078
Mycobacterium tuberculosis Probable hydrolase 0.0152 0.0688 0.0815
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0053 0.0109 0.0109

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 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) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 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) 7.9433 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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