Detailed information for compound 132200

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 217.267 | Formula: C12H15N3O
  • H donors: 2 H acceptors: 3 LogP: 2.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1[nH]cnc2c1ncc2CC1CCCC1
  • InChi: 1S/C12H15N3O/c16-12-11-10(14-7-15-12)9(6-13-11)5-8-3-1-2-4-8/h6-8,16H,1-5H2,(H,14,15)
  • InChiKey: DSCXEPCBJOUADF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Purine-nucleoside phosphorylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis 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
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 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
Onchocerca volvulus Purine nucleoside phosphorylase homolog 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
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
Trichomonas vaginalis purine nucleoside phosphorylase I, 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
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 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
Loa Loa (eye worm) hypothetical 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
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 inosine guanosine and xanthosine 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 ulcerans 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
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 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 japonicum ko:K03783 purine-nucleoside phosphorylase, putative 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
Leishmania donovani methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 270 aa 22.6 %
Leishmania braziliensis methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 255 aa 23.5 %
Leishmania major methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 258 aa 22.9 %
Leishmania mexicana methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 259 aa 23.9 %
Trypanosoma cruzi methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 243 aa 24.3 %
Trypanosoma brucei methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 276 aa 23.2 %
Trypanosoma brucei gambiense methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 276 aa 23.2 %
Echinococcus multilocularis methylthioadenosine phosphorylase Purine-nucleoside phosphorylase   289 aa 234 aa 26.5 %
Trypanosoma cruzi methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 243 aa 23.9 %
Onchocerca volvulus Purine-nucleoside phosphorylase   289 aa 275 aa 22.2 %
Trypanosoma congolense methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 238 aa 27.3 %
Leishmania infantum methylthioadenosine phosphorylase, putative Purine-nucleoside phosphorylase   289 aa 270 aa 22.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis hypothetical protein 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.6459 0.6459
Loa Loa (eye worm) tubulin alpha chain 0.0419 0.6459 0.553
Toxoplasma gondii alpha tubulin TUBA1 0.0419 0.6459 0.6434
Loa Loa (eye worm) BEN-1 protein 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Trypanosoma cruzi beta tubulin, putative 0.0555 1 1
Schistosoma mansoni alpha tubulin 0.0419 0.6459 0.3619
Echinococcus multilocularis tubulin subunit TubB 0.0419 0.6459 0.437
Leishmania major beta tubulin 0.0555 1 1
Trypanosoma brucei epsilon tubulin 0.0341 0.445 0.445
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.6459 0.6459
Trypanosoma brucei tubulin delta chain 0.0322 0.3968 0.3968
Leishmania major beta tubulin 0.0555 1 1
Giardia lamblia Alpha-tubulin 0.0419 0.6459 0.6434
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0249 0.2078 0.2078
Trichomonas vaginalis tubulin epsilon chain, putative 0.0419 0.6459 0.6459
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Trypanosoma brucei beta tubulin 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Loa Loa (eye worm) BEN-1 protein 0.0555 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0341 0.4461 0.3008
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Echinococcus granulosus expressed protein 0.0401 0.5997 0.3636
Echinococcus multilocularis Tubulin beta 2C chain 0.0555 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0419 0.6459 0.3619
Loa Loa (eye worm) tubulin alpha 2 0.0275 0.2749 0.0847
Echinococcus granulosus peroxisome assembly protein 26 0.0419 0.6459 0.437
Entamoeba histolytica tubulin family protein 0.0555 1 1
Schistosoma mansoni tubulin subunit alpha 0.0419 0.6459 0.3619
Echinococcus multilocularis tubulin alpha 3 chain 0.0419 0.6459 0.437
Trypanosoma cruzi zeta tubulin, putative 0.0443 0.7085 0.5167
Brugia malayi Tubulin gamma chain 0.0341 0.4461 0.4461
Leishmania major beta tubulin 0.0555 1 1
Plasmodium falciparum tubulin beta chain 0.0555 1 1
Echinococcus granulosus tubulin epsilon chain 0.0341 0.445 0.1177
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.6459 0.6459
Echinococcus multilocularis tubulin subunit beta 0.0555 1 1
Plasmodium falciparum tubulin gamma chain 0.0341 0.4461 0.002
Echinococcus multilocularis beta tubulin 0.0555 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0419 0.6459 0.553
Schistosoma mansoni tubulin subunit alpha 0.0419 0.6459 0.3619
Onchocerca volvulus 0.0169 0 0.5
Echinococcus granulosus tubulin subunit TubB 0.0419 0.6459 0.437
Echinococcus granulosus tubulin alpha chain 0.0419 0.6459 0.437
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0322 0.3968 0.3926
Trypanosoma brucei alpha tubulin 0.0419 0.6459 0.6459
Leishmania major beta tubulin 0.0555 1 1
Loa Loa (eye worm) tubulin beta chain 0.0555 1 1
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Trypanosoma brucei beta tubulin 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0275 0.2749 0.0847
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Leishmania major gamma-tubulin 0.0341 0.4461 0.0817
Schistosoma mansoni tubulin subunit beta 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0555 1 1
Echinococcus granulosus tubulin alpha chain 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin, putative 0.0555 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0419 0.6459 0.437
Echinococcus granulosus beta tubulin 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Trypanosoma brucei beta tubulin 0.0555 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0555 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0312 0.371 0.3666
Leishmania major beta tubulin 0.0555 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0312 0.371 0.371
Leishmania major beta tubulin 0.0555 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0555 1 1
Schistosoma mansoni tubulin subunit beta 0.0555 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0419 0.6459 0.3619
Trypanosoma brucei zeta tubulin 0.0443 0.7085 0.7085
Giardia lamblia Gamma tubulin 0.0341 0.4461 0.4422
Echinococcus granulosus tubulin alpha chain 0.0419 0.6459 0.437
Leishmania major zeta tubulin, putative 0.0443 0.7085 0.5167
Giardia lamblia Alpha-tubulin 0.0419 0.6459 0.6434
Leishmania major beta tubulin 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0555 1 1
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Trichomonas vaginalis tubulin, putative 0.0172 0.008 0.008
Brugia malayi beta-tubulin, identical 0.0555 1 1
Echinococcus multilocularis tubulin alpha chain 0.0419 0.6459 0.437
Schistosoma mansoni alpha tubulin 0.0419 0.6459 0.3619
Echinococcus multilocularis Tubulin alpha 1 chain 0.0419 0.6459 0.437
Loa Loa (eye worm) alpha-tubulin 0.0419 0.6459 0.553
Echinococcus multilocularis tubulin alpha chain 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin gamma chain, putative 0.0341 0.445 0.445
Entamoeba histolytica tubulin family protein 0.0555 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0275 0.2749 0.0847
Echinococcus granulosus tubulin beta 4A class IVa 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0555 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin epsilon chain, putative 0.0419 0.6459 0.6459
Trypanosoma cruzi epsilon tubulin, putative 0.0341 0.445 0.0798
Echinococcus multilocularis Tubulin beta 2C chain 0.0555 1 1
Toxoplasma gondii beta tubulin 0.0555 1 1
Giardia lamblia Beta tubulin 0.0555 1 1
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Schistosoma mansoni alpha tubulin 0.0419 0.6459 0.3619
Trypanosoma brucei alpha tubulin 0.0419 0.6459 0.6459
Echinococcus granulosus tubulin alpha 3 chain 0.0419 0.6459 0.437
Plasmodium vivax tubulin beta chain, putative 0.0555 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0555 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0275 0.2749 0.2749
Echinococcus granulosus tubulin alpha 1C chain 0.0419 0.6459 0.437
Brugia malayi Tubulin alpha chain 0.0419 0.6459 0.6459
Echinococcus granulosus Tubulin beta 2C chain 0.0555 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0555 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0419 0.6459 0.6459
Trypanosoma brucei beta tubulin 0.0555 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0419 0.6459 0.437
Leishmania major beta tubulin 0.0555 1 1
Echinococcus granulosus tubulin alpha chain 0.0419 0.6459 0.437
Loa Loa (eye worm) hypothetical protein 0.0419 0.6459 0.553
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Echinococcus multilocularis tubulin alpha 1C chain 0.0419 0.6459 0.437
Trypanosoma cruzi zeta tubulin, putative 0.0443 0.7085 0.5167
Brugia malayi tubulin alpha chain - mouse 0.0419 0.6459 0.6459
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.6459 0.6459
Echinococcus multilocularis Tubulin alpha 1 chain 0.0419 0.6459 0.437
Echinococcus multilocularis Tubulin beta 2C chain 0.0555 1 1
Toxoplasma gondii beta-tubulin, putative 0.0555 1 1
Trypanosoma brucei alpha tubulin 0.0419 0.6459 0.6459
Echinococcus multilocularis tubulin epsilon chain 0.0341 0.445 0.1177
Schistosoma mansoni tubulin subunit beta 0.0555 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0555 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0555 1 1
Brugia malayi Tubulin alpha-2 chain 0.0419 0.6459 0.6459
Schistosoma mansoni tubulin subunit beta 0.0555 1 1
Leishmania major epsilon tubulin, putative 0.0341 0.445 0.0798
Trypanosoma cruzi alpha tubulin, putative 0.0419 0.6459 0.4129
Trypanosoma brucei epsilon tubulin 0.0341 0.445 0.445
Trichomonas vaginalis tubulin gamma chain, putative 0.0341 0.4461 0.4461
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0275 0.2749 0.0847
Echinococcus multilocularis tubulin gamma 1 chain 0.0341 0.4461 0.1194
Entamoeba histolytica tubulin alpha chain, putative 0.0419 0.6459 0.3607
Toxoplasma gondii beta-1 tubulin, putative 0.0555 1 1
Giardia lamblia Beta tubulin 0.0555 1 1
Brugia malayi Tubulin alpha-2 chain 0.0419 0.6459 0.6459
Brugia malayi tubulin alpha-2 chain 0.0419 0.6459 0.6459
Leishmania major beta tubulin 0.0555 1 1
Leishmania major beta tubulin 0.0555 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0419 0.6459 0.437
Trypanosoma brucei epsilon tubulin 0.0312 0.371 0.371
Schistosoma mansoni tubulin subunit gamma 0.0341 0.4461 0.002
Trypanosoma cruzi epsilon tubulin, putative 0.0341 0.445 0.0798
Toxoplasma gondii alpha-tubulin I, putative 0.0419 0.6459 0.6434
Brugia malayi alpha-tubulin 0.0419 0.6459 0.6459
Echinococcus granulosus tubulin alpha chain 0.0419 0.6459 0.437
Echinococcus multilocularis beta tubulin 0.0555 1 1
Echinococcus granulosus beta tubulin 0.0555 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.6459 0.6459
Loa Loa (eye worm) tubulin alpha-2 chain 0.0419 0.6459 0.553
Loa Loa (eye worm) tubulin beta-4 chain 0.0555 1 1
Trypanosoma brucei zeta tubulin, putative 0.0443 0.7085 0.7085
Loa Loa (eye worm) beta-tubulin 0.0555 1 1
Trypanosoma brucei alpha tubulin 0.0419 0.6459 0.6459
Leishmania major beta tubulin 0.0555 1 1
Trypanosoma cruzi tubulin gamma chain 0.0341 0.4461 0.0817
Plasmodium falciparum alpha tubulin 2 0.0419 0.6459 0.3619
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Echinococcus granulosus tubulin gamma 1 chain 0.0341 0.4461 0.1194
Echinococcus granulosus Tubulin alpha 1 chain 0.0419 0.6459 0.437
Echinococcus multilocularis tubulin alpha chain 0.0419 0.6459 0.437
Entamoeba histolytica tubulin alpha-1 chain 0.0419 0.6459 0.3607
Plasmodium vivax tubulin gamma chain, putative 0.0341 0.4461 0.002
Echinococcus multilocularis expressed protein 0.0401 0.5997 0.3636
Trypanosoma brucei beta tubulin 0.0312 0.371 0.371
Echinococcus granulosus tubulin subunit beta 0.0555 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0555 1 1
Schistosoma mansoni tubulin subunit alpha 0.0419 0.6459 0.3619
Trichomonas vaginalis tubulin gamma chain, putative 0.0555 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0555 1 1
Loa Loa (eye worm) alpha-tubulin 0.0419 0.6459 0.553
Schistosoma mansoni tubulin subunit beta 0.0555 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0555 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0419 0.6459 0.437
Echinococcus multilocularis tubulin alpha chain 0.0419 0.6459 0.437
Schistosoma mansoni tubulin subunit beta 0.0555 1 1
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Echinococcus granulosus alpha tubulin 0.0419 0.6459 0.437
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.6459 0.6459
Echinococcus multilocularis tubulin beta 1 chain 0.0555 1 1
Echinococcus multilocularis tubulin alpha chain 0.0419 0.6459 0.437
Leishmania major alpha tubulin 0.0419 0.6459 0.4129
Echinococcus granulosus tubulin alpha 1C chain 0.0419 0.6459 0.437
Trypanosoma brucei tubulin gamma chain 0.0341 0.4461 0.4461
Trichomonas vaginalis tubulin beta chain, putative 0.0555 1 1
Giardia lamblia Beta tubulin 0.0555 1 1
Plasmodium falciparum alpha tubulin 1 0.0419 0.6459 0.3619
Echinococcus granulosus Tubulin beta 2C chain 0.0555 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 29 nM Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP) ChEMBL. 8057293
IC50 (binding) = 29 nM Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP) ChEMBL. 8057293
Ratio (binding) = 1 Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay ChEMBL. 8057293
Ratio (binding) = 1 Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay ChEMBL. 8057293

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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