Detailed information for compound 19347

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.228 | Formula: C11H17N5O10P2
  • H donors: 6 H acceptors: 10 LogP: -4.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@H](C1OC(C(C1O)O)n1cnc2c1ncnc2N)OP(=O)(OP(=O)(O)O)O
  • InChi: 1S/C11H17N5O10P2/c1-4(25-28(22,23)26-27(19,20)21)8-6(17)7(18)11(24-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-18H,1H3,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t4-,6?,7?,8?,11?/m1/s1
  • InChiKey: ULMRAPVPTZPASR-BGIRTYSGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 Basic leucine zipper (bZIP) transcription 0.0038 0.4403 0.2477
Loa Loa (eye worm) RNA binding protein 0.0066 1 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.2561 0.2561
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.4403 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.2561 0.2561
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.4403 0.5
Onchocerca volvulus 0.0028 0.2561 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.2561 0.2561
Entamoeba histolytica hypothetical protein 0.0038 0.4403 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.4403 0.2477
Brugia malayi TAR-binding protein 0.0066 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.4403 0.5
Brugia malayi hypothetical protein 0.0038 0.4403 0.4403
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.4403 0.2477
Echinococcus multilocularis tar DNA binding protein 0.0066 1 1
Echinococcus granulosus tar DNA binding protein 0.0066 1 1
Onchocerca volvulus 0.0028 0.2561 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.246 0.246
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.2561 0.2561
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 1 1
Brugia malayi intermediate filament protein 0.0028 0.2561 0.2561
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 1 1
Loa Loa (eye worm) TAR-binding protein 0.0066 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 1 1
Schistosoma mansoni hypothetical protein 0.0038 0.4403 0.2477

Activities

Activity type Activity value Assay description Source Reference
Inhibitory potency (binding) = 0.056 Ratio of Km(ADP)/Ki or Km for rat liver pyruvate kinase ChEMBL. 7143354
Inhibitory potency (binding) = 0.063 Ratio of Km(ADP)/Ki or Km for rat kidney pyruvate kinase ChEMBL. 7143354
Inhibitory potency (binding) = 0.12 Ratio of Km(ADP)/Ki or Km for rat muscle pyruvate kinase ChEMBL. 7143354
Ki (binding) = 4.5 mM Inhibition of rat muscle pyruvate kinase (PK-M) at 10 mM ChEMBL. 7143354
Ki (binding) = 5.4 mM Inhibition of rat liver pyruvate kinase (PK-L) at 10.7 mM ChEMBL. 7143354
Ki (binding) = 7 mM Inhibition of rat muscle pyruvate kinase (PK-M) at 6.7 mM ChEMBL. 7143354
Ki (binding) = 8 mM Michaelis-Menton constant for inhibition of rat kidney pyruvate kinase (PK-K) ChEMBL. 7143354
Ki (binding) = 10.9 mM Inhibition of rat kidney pyruvate kinase (PK-K) at 6.7 mM ChEMBL. 7143354
Relative inhibitory potency (binding) = 1.1 Relative inhibitory potency as ratio of kidney and liver pyruvate kinases ChEMBL. 7143354
Relative inhibitory potency (binding) = 2.1 Relative inhibitory potency as ratio of muscle and liver pyruvate kinases ChEMBL. 7143354
Relative Vmax (binding) > 0 Relative half maximal velocity of Pyruvate kinase and Phosphoenolpyruvate ChEMBL. 7143354
Relative Vmax (binding) > 0 Relative half maximal velocity of Pyruvate kinase to Phosphoenolpyruvate was determined ChEMBL. 7143354

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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