Detailed information for compound 794377

Basic information

Technical information
  • TDR Targets ID: 794377
  • Name: 1,3-dimethyl-7-(2-oxopropyl)-8-piperidin-1-yl purine-2,6-dione
  • MW: 319.359 | Formula: C15H21N5O3
  • H donors: 0 H acceptors: 4 LogP: 0.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCC1
  • InChi: 1S/C15H21N5O3/c1-10(21)9-20-11-12(17(2)15(23)18(3)13(11)22)16-14(20)19-7-5-4-6-8-19/h4-9H2,1-3H3
  • InChiKey: KIOWFXZVDXMYGQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-acetonyl-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione
  • 7-acetonyl-1,3-dimethyl-8-piperidino-xanthine
  • 1,3-dimethyl-7-(2-oxopropyl)-8-piperidin-1-yl-purine-2,6-dione
  • ZINC00099738
  • A2937/0123670

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 vesicular acetylcholine transporter 0.0605 0.7645 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0042 0.0055
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0387 0.1242
Echinococcus multilocularis smad 0.0008 0.0042 0.0042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0508 0.0665
Schistosoma mansoni thyroid hormone receptor 0.001 0.0066 0.0087
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0387 0.1034
Onchocerca volvulus Huntingtin homolog 0.0119 0.1461 0.1911
Echinococcus multilocularis vesicular acetylcholine transporter 0.0605 0.7645 0.7645
Schistosoma mansoni Smad4 0.0008 0.0042 0.0055
Echinococcus multilocularis expressed protein 0.0008 0.0046 0.0046
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0508 0.0657
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0066 0.0087
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0066 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0066 0.0086
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0066 0.0087
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0387 0.0281
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0066 0.0066
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0066 0.0066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0508 0.0665
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0728 0.094
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Schistosoma mansoni smad1 5 8 and 0.0008 0.0042 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0508 0.0665
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0007 0.0009
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0508 0.0657
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0605 0.7645 1
Brugia malayi beta-lactamase 0.0035 0.0387 0.05
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0952
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0728 0.0728
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0066 0.0086
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0605 0.7645 0.9874
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0387 0.1242
Mycobacterium leprae Probable lipase LipE 0.0035 0.0387 1
Trichomonas vaginalis glutaminase, putative 0.0268 0.3348 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0952
Onchocerca volvulus 0.0035 0.0387 0.0507
Brugia malayi nuclear receptor RXR 0.0005 0.0007 0.0009
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0387 0.0507
Onchocerca volvulus 0.001 0.0066 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0952
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0066 0.0087
Loa Loa (eye worm) glutaminase 2 0.0268 0.3348 0.4325
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0066 0.0086
Mycobacterium ulcerans lipase LipD 0.0035 0.0387 0.1034
Brugia malayi ecdysteroid receptor 0.001 0.0066 0.0086
Schistosoma mansoni hypothetical protein 0.0165 0.2043 0.2672
Brugia malayi glutaminase DH11.1 0.0268 0.3348 0.4325
Schistosoma mansoni ferritin light chain 0.0008 0.0046 0.006
Loa Loa (eye worm) glutaminase 0.0268 0.3348 0.4325
Schistosoma mansoni apoferritin-2 0.0008 0.0046 0.006
Mycobacterium tuberculosis Conserved protein 0.0035 0.0387 0.1242
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Schistosoma mansoni ferritin 0.0008 0.0046 0.006
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0007 0.0009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0066 0.0086
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0066 0.0087
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0387 0.1034
Loa Loa (eye worm) hypothetical protein 0.0119 0.1461 0.1887
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0066 0.0066
Schistosoma mansoni ferritin 0.0008 0.0046 0.006
Brugia malayi MH1 domain containing protein 0.0008 0.0042 0.0054
Loa Loa (eye worm) hypothetical protein 0.0313 0.3928 0.5074
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0042 0.0042
Schistosoma mansoni smad1 5 8 and 0.0008 0.0042 0.0055
Brugia malayi Smad1 0.0008 0.0042 0.0054
Echinococcus granulosus Smad4 0.0008 0.0042 0.0055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0175 1
Brugia malayi MH1 domain containing protein 0.0008 0.0042 0.0054
Schistosoma mansoni hypothetical protein 0.0165 0.2043 0.2672
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0066 0.0086
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0066 0.0086
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0952
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0387 0.05
Echinococcus multilocularis neuropeptide receptor A26 0.0451 0.5677 0.5677
Echinococcus granulosus neuropeptide s receptor 0.0451 0.5677 0.7426
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0066 0.0087
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0066 0.0087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0387 0.05
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0042 0.0042
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0066 0.0087
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0387 0.1242
Trichomonas vaginalis esterase, putative 0.0035 0.0387 0.1034
Loa Loa (eye worm) hypothetical protein 0.0035 0.0387 0.05
Schistosoma mansoni apoferritin-2 0.0008 0.0046 0.006
Schistosoma mansoni ferritin 0.0008 0.0046 0.006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0387 0.0507
Brugia malayi hypothetical protein 0.0005 0.0007 0.0009
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0066 0.0087
Echinococcus multilocularis geminin 0.0165 0.2043 0.2043
Trypanosoma brucei C-8 sterol isomerase, putative 0.0613 0.7742 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0387 0.1034
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0613 0.7742 1
Echinococcus granulosus expressed protein 0.0008 0.0046 0.006
Echinococcus granulosus FTZ F1 alpha 0.001 0.0066 0.0087
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0175 0.0229
Brugia malayi TAR-binding protein 0.0062 0.0728 0.094
Leishmania major hypothetical protein, conserved 0.0035 0.0387 0.0281
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0175 0.047
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0042 0.0054
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0066 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0066 0.0086
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0066 0.0086
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0066 0.0087
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0007 0.0009
Brugia malayi RNA binding protein 0.0062 0.0728 0.094
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0066 0.0086
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0042 0.0055
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0387 0.1242
Loa Loa (eye worm) hypothetical protein 0.0119 0.1461 0.1887
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0508 0.0508
Brugia malayi MH2 domain containing protein 0.0008 0.0042 0.0054
Onchocerca volvulus Huntingtin homolog 0.0119 0.1461 0.1911
Schistosoma mansoni ap endonuclease 0.0018 0.0175 0.0229
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0042 0.0055
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0066 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0508 0.0508
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0066 0.0087
Brugia malayi vesicular acetylcholine transporter unc-17 0.0605 0.7645 0.9874
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0387 0.1242
Brugia malayi hypothetical protein 0.0119 0.1461 0.1887
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0066 0.0087
Echinococcus granulosus ferritin 0.0008 0.0046 0.006
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0387 0.1034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0066 0.0086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0066 0.0086
Onchocerca volvulus 0.0035 0.0387 0.0507
Brugia malayi MH2 domain containing protein 0.0116 0.1422 0.1836
Toxoplasma gondii ABC1 family protein 0.0035 0.0387 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0387 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0066 0.0086
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0175 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0728 0.094
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0175 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0387 0.05
Loa Loa (eye worm) hypothetical protein 0.0035 0.0387 0.05
Loa Loa (eye worm) hypothetical protein 0.0035 0.0387 0.05
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0066 0.0086
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0066 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0066 0.0086
Mycobacterium tuberculosis Conserved protein 0.0035 0.0387 0.1242
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0175 0.0391
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0066 0.0086
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0066 0.0066
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0007 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0387 0.1034
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0066 0.0087
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0066 0.0087
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0175 0.0391
Loa Loa (eye worm) Smad1 0.0008 0.0042 0.0054
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0175 0.0391
Schistosoma mansoni ferritin 0.0008 0.0046 0.006
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0066 0.0086
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0387 0.1242
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0387 0.0281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0066 0.0086
Mycobacterium ulcerans glutaminase 0.0268 0.3348 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0066 0.0087
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0508 0.0665
Schistosoma mansoni nuclear hormone receptor 0.001 0.0066 0.0087
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0387 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0066 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0066 0.0086
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0009
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0175 0.0175
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0175 0.0226
Schistosoma mansoni ap endonuclease 0.0018 0.0175 0.0229
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0175 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0387 0.1034
Onchocerca volvulus 0.0035 0.0387 0.0507
Loa Loa (eye worm) hypothetical protein 0.0613 0.7742 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0613 0.7742 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0387 0.1034
Mycobacterium tuberculosis Conserved protein 0.0035 0.0387 0.1242
Brugia malayi nuclear receptor NHR-88 0.001 0.0066 0.0086
Schistosoma mansoni smad 0.0008 0.0042 0.0055
Brugia malayi hypothetical protein 0.0005 0.0007 0.0009
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0042 0.0054
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0066 0.0066
Brugia malayi nuclear hormone receptor 0.001 0.0066 0.0086
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0728 0.094
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0728 0.094
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0175 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0007 0.0009
Echinococcus granulosus smad 0.0008 0.0042 0.0055
Echinococcus granulosus neuropeptide receptor A26 0.0451 0.5677 0.7426
Schistosoma mansoni thyroid hormone receptor 0.001 0.0066 0.0087
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2794 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1422 0.1836
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0728 0.0952
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0508 0.0665
Brugia malayi steroid hormone receptor 0.001 0.0066 0.0086
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0066 0.0066
Echinococcus granulosus tar DNA binding protein 0.0062 0.0728 0.0952
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0009
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0066 0.0087
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Echinococcus granulosus geminin 0.0165 0.2043 0.2672
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0175 0.0226
Mycobacterium ulcerans beta-lactamase 0.0035 0.0387 0.1034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0387 0.0507
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0066 0.0066
Echinococcus multilocularis ferritin 0.0008 0.0046 0.0046
Brugia malayi beta-lactamase family protein 0.0035 0.0387 0.05
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1422 0.1836
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0066 0.0087
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0387 0.05
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0066 0.0086
Loa Loa (eye worm) hypothetical protein 0.0035 0.0387 0.05
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0387 0.1242
Schistosoma mansoni glutaminase 0.0268 0.3348 0.438
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0387 0.1034
Brugia malayi MH2 domain containing protein 0.0008 0.0042 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0066 0.0086
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0007 0.0009
Loa Loa (eye worm) beta-lactamase 0.0035 0.0387 0.05
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0066 0.0086
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0387 0.0281
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0066 0.0087
Schistosoma mansoni ferritin light chain 0.0008 0.0046 0.006
Schistosoma mansoni coup transcription factor 0.001 0.0066 0.0087
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0387 0.0387
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0007 0.0007
Leishmania major C-8 sterol isomerase-like protein 0.0613 0.7742 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0042 0.0055
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0066 0.0066
Echinococcus multilocularis Smad4 0.0008 0.0042 0.0042
Echinococcus multilocularis neuropeptide s receptor 0.0451 0.5677 0.5677
Brugia malayi beta-lactamase family protein 0.0035 0.0387 0.05
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0086
Schistosoma mansoni vesicular acetylcholine transporter 0.0605 0.7645 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0066 0.0086

Activities

No activities found for this compound.

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

No literature references available for this target.

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