Detailed information for compound 1182262

Basic information

Technical information
  • TDR Targets ID: 1182262
  • Name: 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hyd roxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrol o[2,3-e]pyrimidin-4-one
  • MW: 281.268 | Formula: C11H15N5O4
  • H donors: 7 H acceptors: 4 LogP: -2.88 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1nc(N)[nH]c2=O
  • InChi: 1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1
  • InChiKey: KBIDJCVAURJXFG-PVEDRDFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 2-amino-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL
  • IMG
  • IMMUCILLIN-G

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Purine nucleoside phosphorylase Starlite/ChEMBL References
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 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
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 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 inosine guanosine and xanthosine 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
Echinococcus multilocularis purine nucleoside phosphorylase 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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum Purine nucleoside phosphorylase, putative 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 congolense methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 257 aa 27.2 %
Leishmania infantum methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 259 aa 22.8 %
Leishmania major methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 260 aa 23.5 %
Leishmania donovani methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 259 aa 22.8 %
Trypanosoma brucei gambiense methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 277 aa 24.5 %
Leishmania mexicana methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 268 aa 24.3 %
Onchocerca volvulus Purine nucleoside phosphorylase   289 aa 267 aa 20.6 %
Leishmania braziliensis methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 255 aa 23.5 %
Trypanosoma brucei methylthioadenosine phosphorylase, putative purine nucleoside phosphorylase 289 aa 255 aa 23.1 %
Trypanosoma brucei methylthioadenosine phosphorylase, putative Purine nucleoside phosphorylase   289 aa 277 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1582 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.133 0.1704
Leishmania major methylthioadenosine phosphorylase, putative 0.0064 0.1582 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0244 0.7802 0.7802
Mycobacterium tuberculosis Hypothetical protein 0.0064 0.1582 0.1582
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1582 0.5
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0064 0.1582 1
Echinococcus granulosus tar DNA binding protein 0.0072 0.1857 0.1857
Echinococcus granulosus uridine phosphorylase 1 0.0064 0.1582 0.1582
Schistosoma mansoni methylthioadenosine phosphorylase 0.0064 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.0039 0.0714 0.0915
Schistosoma mansoni uridine phosphorylase 0.0064 0.1582 0.1582
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1857 0.1857
Echinococcus multilocularis tar DNA binding protein 0.0072 0.1857 0.1857
Loa Loa (eye worm) uridine phosphorylase 0.0064 0.1582 0.2027
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.1857 0.238
Loa Loa (eye worm) hypothetical protein 0.0244 0.7802 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.133 0.133
Loa Loa (eye worm) RNA binding protein 0.0072 0.1857 0.238
Toxoplasma gondii Purine nucleoside phosphorylase 0.0064 0.1582 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0244 0.7802 0.7802
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1582 0.5
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0064 0.1582 1
Brugia malayi uridine phosphorylase family protein 0.0064 0.1582 0.1582
Mycobacterium tuberculosis Conserved hypothetical protein 0.0064 0.1582 0.1582
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.1857 0.1857
Schistosoma mansoni methylthioadenosine phosphorylase 0.0064 0.1582 0.1582
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1857 0.1857
Schistosoma mansoni methylthioadenosine phosphorylase 0.0064 0.1582 0.1582
Chlamydia trachomatis AMP nucleosidase 0.0064 0.1582 0.5
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1857 0.1857
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0064 0.1582 0.5
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0064 0.1582 1
Treponema pallidum uridine phosphorylase (udp) 0.0064 0.1582 0.5
Plasmodium falciparum purine nucleoside phosphorylase 0.0064 0.1582 1
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0244 0.7802 0.7802
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0064 0.1582 1
Brugia malayi MTAP 0.0064 0.1582 0.1582
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0064 0.1582 0.1582
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0064 0.1582 1
Treponema pallidum pfs protein (pfs) 0.0064 0.1582 0.5
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0064 0.1582 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0064 0.1582 1
Schistosoma mansoni uridine phosphorylase 0.0064 0.1582 0.1582
Schistosoma mansoni hypothetical protein 0.0039 0.0714 0.0714
Trypanosoma brucei uridine phosphorylase 0.0064 0.1582 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.0064 0.1582 0.1582
Brugia malayi TAR-binding protein 0.0072 0.1857 0.1857
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0064 0.1582 0.1582
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1582 0.5
Loa Loa (eye worm) TAR-binding protein 0.0072 0.1857 0.238
Toxoplasma gondii phosphorylase family protein 0.0064 0.1582 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0064 0.1582 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0714 0.0714
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.133 0.1704
Brugia malayi RNA binding protein 0.0072 0.1857 0.1857
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1857 0.1857
Entamoeba histolytica hypothetical protein 0.0064 0.1582 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.133 0.133
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0064 0.1582 0.5
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1857 0.1857
Echinococcus multilocularis uridine phosphorylase 1 0.0064 0.1582 0.1582
Leishmania major nucleoside phosphorylase-like protein 0.0064 0.1582 1
Toxoplasma gondii phosphorylase family protein 0.0064 0.1582 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0064 0.1582 0.2027

Activities

Activity type Activity value Assay description Source Reference
K6 (binding) = 0.00019 s-1 Rate constant of compound was determined for interaction with bovine purine nucleoside phosphorylase(PNP) ChEMBL. 12502369
K6 (binding) = 0.0015 s-1 Rate constant of compound was determined for interaction with human purine nucleoside phosphorylase(PNP) ChEMBL. 12502369
Ki (binding) = 0.042 nM Equilibrium dissociation constant of the compound determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition ChEMBL. 12852771
Ki (binding) = 0.54 nM Inhibition of human purine nucleoside phosphorylase; Initial rate. ChEMBL. 12852771
Ki (binding) = 29 pM Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP) ChEMBL. 12502369
Ki (binding) = 30 pM Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP) ChEMBL. 12502369
Ki (binding) = 42 pM Dissociation constant of the compound against Human Purine Nucleoside Phosphorylase was reported ChEMBL. 14613329
Ki (binding) = 42 pM Inhibition of human PNP by xanthine-oxidase coupled assay ChEMBL. 19170524
Ki (binding) = 540 pM Binding affinity towards Human Purine Nucleoside Phosphorylase was reported ChEMBL. 14613329

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

4 literature references were collected for this gene.

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