Detailed information for compound 46277

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 246.225 | Formula: C10H10N6O2
  • H donors: 3 H acceptors: 4 LogP: -0.25 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc2c(n1)n(Cc1ccco1)c(nc2O)N
  • InChi: 1S/C10H10N6O2/c11-9-13-6-7(14-9)16(10(12)15-8(6)17)4-5-2-1-3-18-5/h1-3,17H,4H2,(H2,11,13)(H2,12,15)
  • InChiKey: WEEOMNXEKMPXSL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 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
Schistosoma japonicum 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
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 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 granulosus 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
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
Mycobacterium ulcerans purine nucleoside phosphorylase 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
Echinococcus granulosus 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 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
Candida albicans similar to human 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
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
Echinococcus granulosus purine nucleoside phosphorylase 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
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 granulosus 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
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 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

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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0746 0.2201
Echinococcus granulosus acetylcholinesterase 0.0133 0.8319 0.8319
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0073 0.3389 0.3389
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0032 0 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0746 0.2201
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.3389 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0746 0.0746
Chlamydia trachomatis AMP nucleosidase 0.0032 0 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0746 0.2201
Plasmodium falciparum purine nucleoside phosphorylase 0.0032 0 0.5
Brugia malayi Carboxylesterase family protein 0.0133 0.8319 0.8319
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.3389 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0154 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Loa Loa (eye worm) TAR-binding protein 0.0071 0.3198 0.3845
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.8319 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0154 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0746 0.0746
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3198 0.3198
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0862 0.0862
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 1 1
Loa Loa (eye worm) inositol-1 0.0041 0.0746 0.0897
Loa Loa (eye worm) hypothetical protein 0.0122 0.7389 0.8882
Loa Loa (eye worm) hypothetical protein 0.0133 0.8319 1
Treponema pallidum uridine phosphorylase (udp) 0.0032 0 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0862 0.0862
Brugia malayi Carboxylesterase family protein 0.0133 0.8319 0.8319
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0746 0.0746
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0073 0.3389 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0073 0.3389 0.3389
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3198 0.3198
Echinococcus multilocularis purine nucleoside phosphorylase 0.0122 0.7389 0.7389
Brugia malayi TAR-binding protein 0.0071 0.3198 0.3198
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0154 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0032 0 0.5
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0154 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Echinococcus multilocularis acetylcholinesterase 0.0133 0.8319 0.8319
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0746 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0154 1 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.3198 0.3198
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.8319 0.8319
Echinococcus multilocularis acetylcholinesterase 0.0133 0.8319 0.8319
Brugia malayi RNA binding protein 0.0071 0.3198 0.3198
Echinococcus multilocularis tar DNA binding protein 0.0071 0.3198 0.3198
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0073 0.3389 0.3389
Treponema pallidum pfs protein (pfs) 0.0032 0 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0746 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3198 0.3198
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0154 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 1 1
Schistosoma mansoni inositol monophosphatase 0.0041 0.0746 0.0746
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0073 0.3389 1
Echinococcus granulosus acetylcholinesterase 0.0133 0.8319 0.8319
Brugia malayi Inositol-1 0.0041 0.0746 0.0746
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 1 1
Echinococcus granulosus carboxylesterase 5A 0.0133 0.8319 0.8319
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0746 0.0746
Loa Loa (eye worm) carboxylesterase 0.0133 0.8319 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0073 0.3389 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.8319 0.8319
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0122 0.7389 0.7389
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0073 0.3389 0.3389
Loa Loa (eye worm) hypothetical protein 0.0133 0.8319 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0394 0.0394
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3198 0.3198
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0746 0.0746
Schistosoma mansoni tar DNA-binding protein 0.0071 0.3198 0.3198
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.3198 0.3845
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0154 1 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0073 0.3389 0.4074
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0394 0.0394
Echinococcus multilocularis purine nucleoside phosphorylase 0.0154 1 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0154 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0154 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0746 0.0746
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0746 0.0746
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0746 0.2201
Loa Loa (eye worm) RNA binding protein 0.0071 0.3198 0.3845
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0746 0.2201
Echinococcus granulosus tar DNA binding protein 0.0071 0.3198 0.3198
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0122 0.7389 0.7389

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.2 uM Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay ChEMBL. 1573639
IC50 (binding) = 5.2 uM Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay ChEMBL. 1573639
IC50 (functional) = 42.5 uM Cytotoxic effect on the growth of human T-and B-lymphoblastoid cell lines(MOLT-4 and MGL-8) evaluated by measuring inhibition of thymidine intake in presence of 10 microM deoxyguanosine ChEMBL. 1573639
IC50 (functional) = 42.5 uM Cytotoxic effect on the growth of human T-and B-lymphoblastoid cell lines(MOLT-4 and MGL-8) evaluated by measuring inhibition of thymidine intake in presence of 10 microM deoxyguanosine ChEMBL. 1573639

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.