Detailed information for compound 1719678

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 373.302 | Formula: C13H20N5O6P
  • H donors: 4 H acceptors: 7 LogP: -4.82 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCN(CCP(=O)(O)O)CCn1cnc2c1nc[nH]c2=O
  • InChi: 1S/C13H20N5O6P/c19-10(20)2-1-3-17(6-7-25(22,23)24)4-5-18-9-16-11-12(18)14-8-15-13(11)21/h8-9H,1-7H2,(H,19,20)(H,14,15,21)(H2,22,23,24)
  • InChiKey: OHSLVUIGAJNHRN-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
Leishmania donovani 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
Trypanosoma congolense hypoxanthine-guanine phosphoribosyltransferase 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
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
Leishmania donovani xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania mexicana xanthine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania infantum xanthine 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
Trypanosoma brucei gambiense 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
Trypanosoma brucei gambiense hypoxanthine-guanine phosphoribosyltransferase, putative 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
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 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
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
Giardia lamblia Guanine phosphoribosyltransferase Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania braziliensis xanthine phosphoribosyltransferase 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
Schistosoma japonicum ko:K00760 hypoxanthine phosphoribosyltransferase [EC2.4.2.8], putative Get druggable targets OG5_127374 All targets in OG5_127374
Leishmania major xanthine 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
Onchocerca volvulus 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
Schistosoma japonicum Hypoxanthine-guanine phosphoribosyltransferase, putative 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
Leishmania braziliensis 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
Trypanosoma brucei gambiense 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
Leishmania infantum hypoxanthine-guanine phosphoribosyltransferase 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
Plasmodium knowlesi 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
Leishmania mexicana hypoxanthine-guanine phosphoribosyltransferase 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
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 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
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 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
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 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
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
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 0.4947 0.4813
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 0.4947 0.4947
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Loa Loa (eye worm) steroid hormone receptor 0.0071 0.4947 1
Loa Loa (eye worm) DR-78 0.0033 0.0258 0.0521
Onchocerca volvulus 0.0111 1 1
Brugia malayi nuclear hormone receptor 0.0033 0.0258 0.0258
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0071 0.4947 0.4813
Brugia malayi nuclear hormone receptor family member odr-7 0.0033 0.0258 0.0258
Echinococcus granulosus calcium activated potassium channel 0.0047 0.1987 0.1775
Brugia malayi orphan nuclear receptor NR2E1 0.0033 0.0258 0.0258
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0085 0.6739 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0071 0.4947 0.4813
Brugia malayi photoreceptor-specific nuclear receptor 0.0071 0.4947 0.4947
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.4947 0.4947
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 0.4947 0.4813
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0111 1 0.5
Brugia malayi nuclear receptor NHR-88 0.0071 0.4947 0.4947
Brugia malayi steroid hormone receptor 0.0071 0.4947 0.4947
Giardia lamblia Guanine phosphoribosyltransferase 0.0111 1 0.5
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Onchocerca volvulus 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0037 0.076 0.1536
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Schistosoma mansoni calcium-activated potassium channel 0.0047 0.1987 0.1775
Echinococcus multilocularis ecdysone induced protein 78C 0.0071 0.4947 0.4813
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0085 0.6739 0.5
Echinococcus granulosus calcium activated potassium channel variant 0.0044 0.1573 0.135
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0071 0.4947 0.4947
Onchocerca volvulus Bile acid receptor homolog 0.0071 0.4947 0.4813
Echinococcus multilocularis calcium activated potassium channel variant 0.0044 0.1573 0.135
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 0.4947 0.4947
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Echinococcus multilocularis FTZ F1 alpha 0.0071 0.4947 0.4813
Brugia malayi hypothetical protein 0.0033 0.0258 0.0258
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0071 0.4947 0.4813
Schistosoma mansoni steroid hormone receptor ad4bp 0.0071 0.4947 0.4813
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0071 0.4947 0.4813
Loa Loa (eye worm) nuclear receptor NHR-67 0.0033 0.0258 0.0521
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0071 0.4947 0.4813
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0037 0.076 0.0515
Brugia malayi Nuclear hormone receptor E75 0.0033 0.0258 0.0258
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0037 0.076 0.1536
Brugia malayi conserved hypotetical protein 0.0033 0.0258 0.0258
Schistosoma mansoni retinoic acid receptor RXR 0.0071 0.4947 0.4813
Schistosoma mansoni nuclear hormone receptor 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0111 1 1
Brugia malayi nuclear receptor RXR 0.0037 0.076 0.076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0071 0.4947 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0071 0.4947 0.4813
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0071 0.4947 0.4947
Brugia malayi hypothetical protein 0.0033 0.0258 0.0258
Schistosoma mansoni thyroid hormone receptor 0.0071 0.4947 0.4813
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0111 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0071 0.4947 0.4813
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0071 0.4947 0.4813
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 0.4947 0.4947
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0071 0.4947 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0071 0.4947 0.4813
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.076 0.0515
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0111 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0071 0.4947 0.4947
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0071 0.4947 0.4813
Brugia malayi nuclear hormone receptor 0.0071 0.4947 0.4947
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0044 0.1573 0.3179
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0071 0.4947 0.4947
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0071 0.4947 0.4813
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0071 0.4947 0.4947
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0071 0.4947 0.4947
Loa Loa (eye worm) hypothetical protein 0.0037 0.076 0.1536
Brugia malayi ecdysteroid receptor 0.0071 0.4947 0.4947
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0037 0.076 0.1536
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0071 0.4947 0.4947
Brugia malayi hypothetical protein 0.0037 0.076 0.076
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0071 0.4947 0.4947
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0033 0.0258 0.0258
Brugia malayi nuclear receptor NHR-67 0.0033 0.0258 0.0258
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0071 0.4947 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0071 0.4947 0.4947
Echinococcus multilocularis calcium activated potassium channel 0.0047 0.1987 0.1775
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0071 0.4947 0.4813
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0071 0.4947 0.4947
Brugia malayi nuclear receptor RXR 0.0033 0.0258 0.0258
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0071 0.4947 1
Schistosoma mansoni coup transcription factor 0.0071 0.4947 0.4813
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0037 0.076 0.1536
Echinococcus multilocularis thyroid hormone receptor alpha 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Onchocerca volvulus Protein ultraspiracle homolog 0.0071 0.4947 0.4813
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 0.4947 0.4813
Leishmania major xanthine phosphoribosyltransferase 0.0111 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.076 0.076
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0111 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.076 0.076
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Brugia malayi tailless protein 0.0033 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0071 0.4947 1
Brugia malayi nuclear receptor NHR-88 0.0033 0.0258 0.0258
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0071 0.4947 0.4813
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Echinococcus granulosus FTZ F1 alpha 0.0071 0.4947 0.4813
Schistosoma mansoni thyroid hormone receptor 0.0071 0.4947 0.4813
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0037 0.076 0.0515
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0111 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0071 0.4947 0.4947
Brugia malayi nuclear hormone receptor family member nhr-6 0.0033 0.0258 0.0258
Loa Loa (eye worm) nuclear hormone receptor 0.0033 0.0258 0.0521
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Echinococcus multilocularis potassium large conductance calcium activated 0.0047 0.1987 0.1775
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0037 0.076 0.0515
Echinococcus granulosus potassium large conductance calcium activated 0.0047 0.1987 0.1775
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Schistosoma mansoni calcium-activated potassium channel 0.0044 0.1573 0.135
Loa Loa (eye worm) hypothetical protein 0.0033 0.0258 0.0521
Schistosoma mansoni RAR-like nuclear receptor 0.0071 0.4947 0.4813
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0033 0.0258 0.0521
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.076 0.1536
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0071 0.4947 0.4813
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0111 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0071 0.4947 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0071 0.4947 0.4813
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0071 0.4947 1
Brugia malayi Nuclear hormone receptor E75 0.0033 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0111 1 1
Brugia malayi hypothetical protein 0.0037 0.076 0.076
Brugia malayi ecdysone receptor 0.0033 0.0258 0.0258
Loa Loa (eye worm) hypothetical protein 0.0071 0.4947 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 100 ug ml-1 Cytotoxicity against human HEL cells ChEMBL. 22725979
Ki (binding) = 5.4 uM Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine ChEMBL. 22725979

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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