Detailed information for compound 27182

Basic information

Technical information
  • TDR Targets ID: 27182
  • Name: [3-methylbut-3-enoxy(oxido)phosphoryl] phosph ate
  • MW: 243.068 | Formula: C5H9O7P2---
  • H donors: 0 H acceptors: 5 LogP: -1.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)CCOP(=O)(OP(=O)([O-])[O-])[O-]
  • InChi: 1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)/p-3
  • InChiKey: NUHSROFQTUXZQQ-UHFFFAOYSA-K  

Network

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Synonyms

  • [3-methylbut-3-enoxy(oxidanidyl)phosphoryl] phosphate
  • isopentenyl pyrophosphate
  • (3-methylbut-3-enoxy-oxidophosphoryl) phosphate
  • (3-methylbut-3-enoxy-oxido-phosphoryl) phosphate
  • nchembio875-comp13

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
Schistosoma mansoni pyruvate dehydrogenase 0.0629 0.7873 0.7873
Trypanosoma brucei developmentally regulated phosphoprotein 0.0666 0.8409 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0085 0 0.5
Leishmania major developmentally regulated phosphoprotein-like protein 0.0666 0.8409 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0666 0.8409 1
Schistosoma mansoni pyruvate dehydrogenase 0.0666 0.8409 0.8409
Schistosoma mansoni pyruvate dehydrogenase 0.0629 0.7873 0.7873
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.027 0.2679 1
Trichomonas vaginalis CAMK family protein kinase 0.0085 0 0.5
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0666 0.8409 0.8409
Schistosoma mansoni microtubule-associated protein tau 0.0776 1 1
Giardia lamblia Kinase, TTK 0.0085 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0085 0 0.5
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0666 0.8409 0.8409
Echinococcus multilocularis microtubule associated protein 2 0.0776 1 1
Brugia malayi kinase, mitochondrial precursor 0.0666 0.8409 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0666 0.8409 0.8409
Loa Loa (eye worm) hypothetical protein 0.0666 0.8409 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 1 Activity of the compound was determined against isopentenyl pyrophosphate (IPP) in Vgamma9 / Vdelta2 T cell ChEMBL. 12657258
EC50 (functional) = 1.02 uM Mean effective concentration of compound was determined in stimulating Vgamma9 / Vdelta2 T cell ChEMBL. 12657258
EC50 (functional) = 4 uM Effective concentration range of compound was determined in stimulating Vgamma9 / Vdelta2 T cell ChEMBL. 12657258
EC50 (functional) = 10 uM Effective concentration range of compound was determined in stimulating Vgamma9 / Vdelta2 T cell ChEMBL. 12657258
Production (functional) = 100 % Relative yield of the product (FPP) derived from the compound with GPP in the enzymatic reaction catalyzed by FPP synthase from B. stearothermophilus ChEMBL. 9873578
Production (functional) = 100 % Relative yield of the product (FPP) derived from the compound with GPP in the enzymatic reaction catalyzed by FPP synthase from avian liver ChEMBL. 9873578
Production (functional) = 100 % Relative yield of the product (FPP) derived from the compound with GPP in the enzymatic reaction catalyzed by FPP synthase from porcine liver ChEMBL. 9873578
Production (functional) = 101 % Relative yield of the product (FPP) derived from the compound with DMAPP in the enzymatic reaction catalyzed by FPP synthase from porcine liver ChEMBL. 9873578
Production (functional) = 105 % Relative yield of the product (FPP) derived from the compound with DMAPP in the enzymatic reaction catalyzed by FPP synthase from B. stearothermophilus ChEMBL. 9873578
Production (functional) = 112 % Relative yield of the product (FPP) derived from the compound with DMAPP in the enzymatic reaction catalyzed by FPP synthase from avian liver ChEMBL. 9873578

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

2 literature references were collected for this gene.

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