Detailed information for compound 56538

Basic information

Technical information
  • TDR Targets ID: 56538
  • Name: 2,6-diamino-7-(furan-2-ylmethyl)-1,5-dihydrop yrrolo[3,2-d]pyrimidin-4-one
  • MW: 245.237 | Formula: C11H11N5O2
  • H donors: 4 H acceptors: 3 LogP: 0.72 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(O)c2c(n1)c(Cc1ccco1)c([nH]2)N
  • InChi: 1S/C11H11N5O2/c12-9-6(4-5-2-1-3-18-5)7-8(14-9)10(17)16-11(13)15-7/h1-3,14H,4,12H2,(H3,13,15,16,17)
  • InChiKey: CTDMAIGDJQOLRG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2,6-diamino-7-(2-furylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
  • 2,6-bis(azanyl)-7-(furan-2-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
  • 2,6-diamino-7-(2-furfuryl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purine nucleoside phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Candida albicans similar to human purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma mansoni purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma japonicum ko:K03783 purine-nucleoside phosphorylase, putative Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma mansoni purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Mycobacterium ulcerans purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus multilocularis purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) Get druggable targets OG5_128114 All targets in OG5_128114
Onchocerca volvulus Purine nucleoside phosphorylase homolog Get druggable targets OG5_128114 All targets in OG5_128114
Trichomonas vaginalis purine nucleoside phosphorylase I, putative Get druggable targets OG5_128114 All targets in OG5_128114
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein Get druggable targets OG5_128114 All targets in OG5_128114
Echinococcus granulosus purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Schistosoma japonicum Purine nucleoside phosphorylase, putative Get druggable targets OG5_128114 All targets in OG5_128114
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate Get druggable targets OG5_128114 All targets in OG5_128114
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128114 All targets in OG5_128114
Candida albicans similar to human purine nucleoside phosphorylase Get druggable targets OG5_128114 All targets in OG5_128114
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) Get druggable targets OG5_128114 All targets in OG5_128114

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei methylthioadenosine phosphorylase, putative purine nucleoside phosphorylase 289 aa 255 aa 23.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni alpha-glucosidase 0.035 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.035 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.035 1 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.3295 0.3295
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0197 0.3295 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0197 0.3295 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0197 0.3295 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0154 0.1395 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0197 0.3295 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0197 0.3295 0.3295
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus multilocularis lysosomal alpha glucosidase 0.035 1 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0154 0.1395 0.5
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Schistosoma mansoni alpha-glucosidase 0.035 1 1
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0154 0.1395 0.5
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0197 0.3295 0.3295
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus multilocularis transfer RNA-Trp 0.0197 0.3295 0.3295
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Trichomonas vaginalis conserved hypothetical protein 0.0197 0.3295 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.035 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0197 0.3295 0.3295
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Loa Loa (eye worm) mannosidase 0.0197 0.3295 0.3295
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0197 0.3295 1
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0197 0.3295 0.3295
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0197 0.3295 0.2207
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0197 0.3295 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.3295 0.3295
Loa Loa (eye worm) hypothetical protein 0.017 0.2104 0.2104
Onchocerca volvulus 0.0235 0.4967 1
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0197 0.3295 0.2207
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 0.1395 0.1395
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0154 0.1395 0.5
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0197 0.3295 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.4 uM Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP) ChEMBL. 1578487
IC50 (binding) = 5.4 uM Compound was tested for the inhibitory activity against purine nucleoside phosphorylase (PNP) ChEMBL. 1578487

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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