Detailed information for compound 785472

Basic information

Technical information
  • TDR Targets ID: 785472
  • Name: 7-heptyl-1,3-dimethyl-8-(morpholin-4-ylmethyl )purine-2,6-dione
  • MW: 377.481 | Formula: C19H31N5O3
  • H donors: 0 H acceptors: 3 LogP: 1.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C
  • InChi: 1S/C19H31N5O3/c1-4-5-6-7-8-9-24-15(14-23-10-12-27-13-11-23)20-17-16(24)18(25)22(3)19(26)21(17)2/h4-14H2,1-3H3
  • InChiKey: QWQNXVBZYCUNSE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-heptyl-1,3-dimethyl-8-(morpholinomethyl)purine-2,6-dione
  • 7-heptyl-1,3-dimethyl-8-(morpholinomethyl)xanthine

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
Brugia malayi Carboxylesterase family protein 0.0058 0.018 0.0416
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0058 0.018 0.0416
Mycobacterium ulcerans carboxylesterase, LipT 0.0326 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1509 0.3492
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0058 0.018 0.018
Echinococcus multilocularis BC026374 protein (S09 family) 0.0058 0.018 0.0416
Onchocerca volvulus 0.0058 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Schistosoma mansoni sodium/chloride dependent transporter 0.0094 0.1509 0.3492
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.0053 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0171 0.4322 1
Onchocerca volvulus 0.0058 0.018 1
Brugia malayi Carboxylesterase family protein 0.0058 0.018 0.0416
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0053 0 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0058 0.018 0.0416
Schistosoma mansoni neuroligin 3 (S09 family) 0.0058 0.018 0.0416
Mycobacterium leprae PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT 0.0053 0 0.5
Schistosoma mansoni gliotactin 0.0058 0.018 0.0416
Loa Loa (eye worm) carboxylesterase 0.0058 0.018 0.0416
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0053 0 0.5
Brugia malayi Carboxylesterase family protein 0.0171 0.4322 1
Echinococcus multilocularis acetylcholinesterase 0.0171 0.4322 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.018 0.0416
Echinococcus multilocularis neuroligin 0.0058 0.018 0.0416
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0094 0.1509 0.3492
Schistosoma mansoni acetylcholinesterase 0.0058 0.018 0.0416
Echinococcus granulosus acetylcholinesterase 0.0171 0.4322 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0094 0.1509 0.3492
Echinococcus multilocularis para nitrobenzyl esterase 0.0058 0.018 0.0416
Echinococcus granulosus neuroligin 0.0058 0.018 0.0416
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0058 0.018 1
Echinococcus granulosus carboxylesterase 5A 0.0171 0.4322 1
Echinococcus granulosus acetylcholinesterase 0.0171 0.4322 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0171 0.4322 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Echinococcus multilocularis sodium and chloride dependent glycine 0.0094 0.1509 0.3492
Loa Loa (eye worm) carboxylesterase 0.0171 0.4322 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0058 0.018 0.0416
Onchocerca volvulus 0.0058 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Echinococcus granulosus sodium and chloride dependent glycine 0.0094 0.1509 0.3492
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0058 0.018 0.0416
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.018 0.0416
Echinococcus granulosus para nitrobenzyl esterase 0.0058 0.018 0.0416
Brugia malayi Carboxylesterase family protein 0.0058 0.018 0.0416
Onchocerca volvulus 0.0058 0.018 1
Brugia malayi hypothetical protein 0.0058 0.018 0.0416
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0053 0 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0094 0.1509 0.3492
Schistosoma mansoni sodium/chloride dependent transporter 0.0094 0.1509 0.3492
Onchocerca volvulus 0.0058 0.018 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0094 0.1509 0.3492
Trichomonas vaginalis spcc417.12 protein, putative 0.0058 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Loa Loa (eye worm) hypothetical protein 0.0094 0.1509 0.3492
Echinococcus multilocularis acetylcholinesterase 0.0171 0.4322 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.018 0.0416
Loa Loa (eye worm) hypothetical protein 0.0171 0.4322 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0171 0.4322 1
Brugia malayi Carboxylesterase family protein 0.0171 0.4322 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0058 0.018 0.018
Brugia malayi Carboxylesterase family protein 0.0058 0.018 0.0416
Echinococcus multilocularis carboxylesterase 5A 0.0171 0.4322 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.018 0.0416
Loa Loa (eye worm) carboxylesterase 0.0058 0.018 0.0416

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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