Detailed information for compound 57633

Basic information

Technical information
  • TDR Targets ID: 57633
  • Name: (5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)me thyl 2,2-dimethylpropanoate
  • MW: 278.264 | Formula: C12H14N4O4
  • H donors: 0 H acceptors: 4 LogP: 1.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)OCn1c(=O)onc1c1nccnc1
  • InChi: 1S/C12H14N4O4/c1-12(2,3)10(17)19-7-16-9(15-20-11(16)18)8-6-13-4-5-14-8/h4-6H,7H2,1-3H3
  • InChiKey: PDCUJMDUVXJZRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,2-dimethylpropanoic acid [5-oxo-3-(2-pyrazinyl)-1,2,4-oxadiazol-4-yl]methyl ester
  • 2,2-dimethylpropionic acid (5-keto-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl ester
  • 345631-76-7
  • AIDS-031131
  • AIDS031131
  • Propanoic acid, 2,2-dimethyl-, (5-oxo-3-pyrazinyl-1,2,4-oxadiazol-4(5H)-yl)methyl ester

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 granulosus geminin 0.0164 0.1992 0.1947
Echinococcus multilocularis integrin beta 2 0.0453 0.635 0.6329
Echinococcus multilocularis integrin alpha 3 0.0229 0.2969 0.2929
Loa Loa (eye worm) integrin beta-2 0.0612 0.874 0.8733
Loa Loa (eye worm) hypothetical protein 0.0226 0.2923 0.2883
Brugia malayi hypothetical protein 0.0093 0.0918 0.0867
Echinococcus multilocularis integrin alpha ps 0.0134 0.1536 0.1488
Loa Loa (eye worm) integrin alpha pat-2 0.046 0.6459 0.6438
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0695 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0695 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0695 1 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0695 1 1
Echinococcus multilocularis integrin alpha ps 0.0064 0.0485 0.0431
Echinococcus granulosus integrin alpha 3 0.0229 0.2969 0.2929
Plasmodium vivax RNA helicase-1, putative 0.0695 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0695 1 1
Schistosoma mansoni integrin alpha 0.0299 0.402 0.3986
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0093 0.0918 0.0867
Loa Loa (eye worm) hypothetical protein 0.0064 0.0485 0.0431
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0226 0.2923 0.2883
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0695 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0695 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0695 1 1
Treponema pallidum ATP-dependent RNA helicase 0.0695 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0695 1 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0918 0.0867
Schistosoma mansoni integrin alpha-ps 0.007 0.0568 0.0514
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0695 1 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0695 1 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.2001 0.1956
Echinococcus granulosus eukaryotic initiation factor 4A 0.0695 1 1
Echinococcus granulosus integrin alpha ps 0.0134 0.1536 0.1488
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0695 1 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.1992 0.1947
Echinococcus multilocularis geminin 0.0164 0.1992 0.1947
Schistosoma mansoni hypothetical protein 0.0164 0.1992 0.1947
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0695 1 1
Echinococcus granulosus integrin beta 2 0.0453 0.635 0.6329
Schistosoma mansoni integrin beta subunit 0.036 0.4948 0.492
Echinococcus granulosus integrin alpha ps 0.0064 0.0485 0.0431
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0057 0.5
Brugia malayi Integrin alpha pat-2 precursor 0.0299 0.402 0.3986
Schistosoma mansoni integrin alpha-ps 0.0134 0.1536 0.1488
Leishmania major eukaryotic initiation factor 4a, putative 0.0695 1 1
Schistosoma mansoni hypothetical protein 0.0064 0.0485 0.0431
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0695 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0695 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0695 1 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0568 0.0514
Brugia malayi Kelch motif family protein 0.0093 0.0918 0.0867
Echinococcus multilocularis integrin alpha ps 0.0134 0.1536 0.1488
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0057 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0695 1 1
Loa Loa (eye worm) hypothetical protein 0.0695 1 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.3052 0.3013
Brugia malayi Integrin beta pat-3 precursor 0.0612 0.874 0.8733
Plasmodium falciparum eukaryotic initiation factor 4A 0.0695 1 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 56 ug ml-1 Minimum inhibitory concentration against Mycobacterium tuberculosis H37Rv (ATCC 27294) in BACTEC 6A medium ChEMBL. 11334565
MIC (functional) = 56 ug ml-1 Minimum inhibitory concentration against Mycobacterium tuberculosis H37Rv (ATCC 27294) in BACTEC 6A medium ChEMBL. 11334565
MIC (functional) = 200 uM Minimum inhibitory concentration against Mycobacterium tuberculosis H37Rv (ATCC 27294) in BACTEC 6A medium ChEMBL. 11334565
MIC (functional) = 200 uM Minimum inhibitory concentration against Mycobacterium tuberculosis H37Rv (ATCC 27294) in BACTEC 6A medium ChEMBL. 11334565

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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