Detailed information for compound 1727487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.23 | Formula: C11H18N4O9P2
  • H donors: 5 H acceptors: 8 LogP: -4.1 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]cnc2c1ncn2CC(COCP(=O)(O)O)COCP(=O)(O)O
  • InChi: 1S/C11H18N4O9P2/c16-11-9-10(12-4-13-11)15(5-14-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H,12,13,16)(H2,17,18,19)(H2,20,21,22)
  • InChiKey: UAIJWVVEDWVBMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypoxanthine phosphoribosyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Schistosoma japonicum Hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania infantum hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Onchocerca volvulus Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania braziliensis hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania major xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania donovani hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Giardia lamblia Guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania braziliensis xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania mexicana hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma congolense hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor Get druggable targets OG5_127374 All targets in OG5_127374
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma brucei gambiense hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania infantum xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Plasmodium knowlesi hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Neospora caninum Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8), related Get druggable targets OG5_127374 All targets in OG5_127374
Schistosoma japonicum ko:K00760 hypoxanthine phosphoribosyltransferase [EC2.4.2.8], putative Get druggable targets OG5_127374 All targets in OG5_127374
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Plasmodium berghei hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma congolense hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania mexicana xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma brucei gambiense hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania major hypoxanthine-guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma congolense hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Brugia malayi Phosphoribosyl transferase domain containing protein Get druggable targets OG5_127374 All targets in OG5_127374
Trypanosoma brucei gambiense hypoxanthine-guanine phosphoribosyltransferase, putative Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania donovani xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt Get druggable targets OG5_127374 All targets in OG5_127374
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 tubulin alpha-2 chain 0.035 0.6562 0.6562
Giardia lamblia Alpha-tubulin 0.035 0.6562 0.6562
Echinococcus granulosus tubulin alpha 3 chain 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Echinococcus granulosus tubulin alpha chain 0.035 0.6562 0.6562
Trypanosoma brucei epsilon tubulin 0.0253 0.3918 0.3918
Echinococcus multilocularis tubulin alpha 1C chain 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Loa Loa (eye worm) hypothetical protein 0.035 0.6562 0.5337
Echinococcus granulosus tubulin subunit TubB 0.035 0.6562 0.6562
Echinococcus granulosus tubulin epsilon chain 0.0253 0.3918 0.3918
Echinococcus granulosus tubulin alpha chain 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Echinococcus multilocularis tubulin gamma 1 chain 0.0253 0.3918 0.3918
Echinococcus granulosus tubulin alpha 1C chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Loa Loa (eye worm) tubulin alpha 2 0.024 0.3542 0.1241
Loa Loa (eye worm) alpha-tubulin 0.035 0.6562 0.5337
Trypanosoma cruzi tubulin gamma chain 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin alpha chain, putative 0.0143 0.0899 0.0899
Trypanosoma brucei alpha tubulin 0.035 0.6562 0.6562
Echinococcus granulosus tubulin alpha 1C chain 0.035 0.6562 0.6562
Echinococcus granulosus tubulin alpha chain 0.035 0.6562 0.6562
Plasmodium vivax tubulin alpha chain, putative 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Echinococcus multilocularis tubulin subunit TubB 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.035 0.6562 0.6562
Schistosoma mansoni alpha tubulin 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Loa Loa (eye worm) alpha-tubulin 0.035 0.6562 0.5337
Brugia malayi alpha-tubulin 0.035 0.6562 0.6562
Plasmodium vivax tubulin alpha chain, putative 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin gamma chain, putative 0.0253 0.3918 0.3918
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Loa Loa (eye worm) tubulin alpha chain 0.035 0.6562 0.5337
Echinococcus granulosus tubulin gamma 1 chain 0.0253 0.3918 0.3918
Plasmodium falciparum tubulin epsilon chain, putative 0.0253 0.3918 0.3918
Loa Loa (eye worm) tubulin alpha-2 chain 0.035 0.6562 0.5337
Echinococcus granulosus tubulin alpha chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.035 0.6562 0.6562
Echinococcus multilocularis tubulin alpha chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin alpha chain, putative 0.0143 0.0899 0.0899
Giardia lamblia Alpha-tubulin 0.035 0.6562 0.6562
Trypanosoma brucei epsilon tubulin 0.0253 0.3918 0.3918
Echinococcus multilocularis tubulin alpha 1C chain 0.035 0.6562 0.6562
Brugia malayi Tubulin gamma chain 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin, putative 0.0143 0.0899 0.0899
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0253 0.3918 0.3918
Toxoplasma gondii alpha tubulin TUBA1 0.035 0.6562 0.6562
Plasmodium vivax tubulin epsilon chain, putative 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin gamma chain, putative 0.0253 0.3918 0.3918
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Plasmodium falciparum alpha tubulin 1 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin, putative 0.0143 0.0899 0.0899
Trichomonas vaginalis tubulin epsilon chain, putative 0.035 0.6562 0.6562
Echinococcus multilocularis Tubulin alpha 1 chain 0.035 0.6562 0.6562
Loa Loa (eye worm) tubulin gamma chain 0.0253 0.3918 0.1751
Trypanosoma brucei beta tubulin 0.0253 0.3918 0.3918
Trypanosoma cruzi epsilon tubulin, putative 0.0253 0.3918 0.3918
Trypanosoma cruzi alpha tubulin, putative 0.035 0.6562 0.6562
Trypanosoma brucei alpha tubulin 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.035 0.6562 0.6562
Echinococcus granulosus Tubulin alpha 1 chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.035 0.6562 0.6562
Echinococcus multilocularis hypothetical protein 0.035 0.6562 0.6562
Plasmodium falciparum alpha tubulin 2 0.035 0.6562 0.6562
Plasmodium falciparum tubulin gamma chain 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin epsilon chain, putative 0.035 0.6562 0.6562
Brugia malayi tubulin alpha chain - mouse 0.035 0.6562 0.6562
Schistosoma mansoni tubulin subunit alpha 0.035 0.6562 0.6562
Schistosoma mansoni tubulin subunit alpha 0.035 0.6562 0.6562
Entamoeba histolytica tubulin alpha chain, putative 0.035 0.6562 0.4347
Echinococcus multilocularis tubulin alpha 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin alpha chain, putative 0.0253 0.3918 0.3918
Leishmania major gamma-tubulin 0.0253 0.3918 0.3918
Plasmodium vivax tubulin gamma chain, putative 0.0253 0.3918 0.3918
Echinococcus multilocularis tubulin alpha chain 0.035 0.6562 0.6562
Schistosoma mansoni tubulin subunit epsilon 0.0253 0.3918 0.3918
Echinococcus multilocularis tubulin alpha chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.0143 0.0899 0.0899
Echinococcus granulosus Tubulin alpha 1 chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.035 0.6562 0.6562
Echinococcus multilocularis tubulin alpha chain 0.035 0.6562 0.6562
Echinococcus granulosus alpha tubulin 0.035 0.6562 0.6562
Entamoeba histolytica tubulin alpha-1 chain 0.035 0.6562 0.4347
Brugia malayi Tubulin alpha-2 chain 0.035 0.6562 0.6562
Toxoplasma gondii alpha-tubulin I, putative 0.035 0.6562 0.6562
Brugia malayi Tubulin alpha chain 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Trypanosoma brucei alpha tubulin, putative 0.0143 0.0899 0.0899
Brugia malayi Tubulin beta chain 0.0143 0.0899 0.0899
Trichomonas vaginalis tubulin alpha chain, putative 0.0143 0.0899 0.0899
Onchocerca volvulus 0.0143 0.0899 1
Echinococcus multilocularis tubulin alpha 3 chain 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin beta chain, putative 0.035 0.6562 0.6562
Echinococcus granulosus tubulin alpha chain 0.035 0.6562 0.6562
Trypanosoma brucei alpha tubulin 0.035 0.6562 0.6562
Trypanosoma brucei tubulin gamma chain 0.0253 0.3918 0.3918
Giardia lamblia Gamma tubulin 0.0253 0.3918 0.3918
Echinococcus granulosus peroxisome assembly protein 26 0.035 0.6562 0.6562
Brugia malayi Tubulin alpha-2 chain 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Leishmania major epsilon tubulin, putative 0.0253 0.3918 0.3918
Schistosoma mansoni alpha tubulin 0.035 0.6562 0.6562
Echinococcus multilocularis tubulin alpha chain 0.035 0.6562 0.6562
Echinococcus granulosus tubulin alpha 0.0253 0.3918 0.3918
Loa Loa (eye worm) hypothetical protein 0.024 0.3542 0.1241
Echinococcus multilocularis Tubulin alpha 1 chain 0.035 0.6562 0.6562
Echinococcus multilocularis tubulin epsilon chain 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.024 0.3542 0.3542
Schistosoma mansoni tubulin subunit alpha 0.035 0.6562 0.6562
Trypanosoma brucei alpha tubulin 0.035 0.6562 0.6562
Leishmania major alpha tubulin 0.035 0.6562 0.6562
Echinococcus multilocularis Tubulin alpha 1 chain 0.035 0.6562 0.6562
Echinococcus multilocularis peroxisome assembly protein 26 0.035 0.6562 0.6562
Trypanosoma brucei epsilon tubulin 0.0253 0.3918 0.3918
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0206 0.2627 0.2627
Echinococcus granulosus tubulin alpha 3 chain 0.035 0.6562 0.6562
Loa Loa (eye worm) alpha-tubulin isotype 2 0.024 0.3542 0.1241
Trypanosoma cruzi epsilon tubulin, putative 0.0253 0.3918 0.3918
Loa Loa (eye worm) tubulin alpha chain 0.035 0.6562 0.5337
Schistosoma mansoni tubulin subunit gamma 0.0253 0.3918 0.3918
Schistosoma mansoni alpha tubulin 0.035 0.6562 0.6562
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0143 0.0899 0.0899
Loa Loa (eye worm) tubulin alpha 2 0.024 0.3542 0.1241
Echinococcus multilocularis tubulin alpha 3 chain 0.035 0.6562 0.6562
Echinococcus granulosus Tubulin alpha 1 chain 0.035 0.6562 0.6562

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimycobacterial activity against Mycobacterium tuberculosis H37Ra ATCC 25177 at >= 250 uM after 5 days by resazurin reduction assay ChEMBL. 23927482
Ki (binding) = 1 uM Inhibition of human N-terminal hexahistidine-tagged HGPRT ChEMBL. 23448281

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.