Detailed information for compound 226729

Basic information

Technical information
  • TDR Targets ID: 226729
  • Name: 4-[(E)-[phenyl(pyrazin-2-yl)methylidene]amino ]oxybutanoic acid
  • MW: 285.298 | Formula: C15H15N3O3
  • H donors: 1 H acceptors: 4 LogP: 1.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCO/N=C(/c1cnccn1)\c1ccccc1
  • InChi: 1S/C15H15N3O3/c19-14(20)7-4-10-21-18-15(12-5-2-1-3-6-12)13-11-16-8-9-17-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,19,20)/b18-15+
  • InChiKey: ZYKXFROQROHTIV-OBGWFSINSA-N  

Network

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Synonyms

  • 4-[(E)-[phenyl(pyrazin-2-yl)methylene]amino]oxybutanoic acid
  • 4-[(E)-[phenyl(2-pyrazinyl)methylene]amino]oxybutanoic acid
  • 4-[(E)-[phenyl(pyrazin-2-yl)methylene]amino]oxybutyric acid

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 hypothetical protein 0.0056 0.0662 0.5241
Trypanosoma brucei Peptide deformylase 2 0.0086 0.1248 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.0971 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.0971 1
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0432 0.346
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Echinococcus granulosus transcription factor Dp 1 0.0042 0.037 0.0744
Mycobacterium ulcerans peptide deformylase 0.0225 0.4009 0.3739
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Treponema pallidum hypothetical protein 0.0059 0.0715 0.059
Treponema pallidum polypeptide deformylase (def) 0.0225 0.4009 1
Mycobacterium ulcerans isocitrate lyase AceAb 0.0526 1 1
Trypanosoma brucei unspecified product 0.0037 0.0289 0.2319
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0107 0.1678 0.1303
Trypanosoma brucei Polypeptide deformylase 1 0.0086 0.1248 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0216 0.1733
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.0971 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.0971 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0069 0.0919 0.0509
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0171 0.2939 0.262
Toxoplasma gondii hypothetical protein 0.0225 0.4009 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.1248 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0362 0.6743 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0069 0.0919 0.0509
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.0526 1 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0171 0.2939 0.262
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.0526 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.0971 1
Trichomonas vaginalis aldehyde oxidase, putative 0.0362 0.6743 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0122 0.1975 0.1613
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.037 0.0744
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.0971 1
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0432 0.346
Plasmodium vivax peptide deformylase, putative 0.0225 0.4009 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0216 0.1733
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Treponema pallidum quinoline 2-oxidoreductase 0.0057 0.0688 0.0512
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.1248 1
Brugia malayi hypothetical protein 0.0039 0.0322 0.1401
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.1248 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0171 0.2939 0.2939
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0122 0.1975 0.1613
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0225 0.4009 0.4009
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0971 0.6602
Mycobacterium ulcerans hypothetical protein 0.0059 0.0715 0.0296
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.024 0.4313 0.4056
Mycobacterium leprae Isocitrate lyase 0.0247 0.4446 0.0728
Chlamydia trachomatis peptide deformylase 0.0225 0.4009 0.5
Echinococcus multilocularis dna polymerase kappa 0.0045 0.0432 0.1694
Mycobacterium ulcerans isocitrate lyase Icl 0.0526 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.1248 1
Leishmania major polypeptide deformylase-like protein, putative 0.0086 0.1248 1
Plasmodium falciparum peptide deformylase 0.0225 0.4009 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0971 0.7778
Echinococcus granulosus dna polymerase kappa 0.0045 0.0432 0.1694
Trypanosoma brucei DNA polymerase IV, putative 0.0037 0.0289 0.2319
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0069 0.0919 0.0919
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.0526 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.0971 0.6602
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.0971 0.7778
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0225 0.4009 0.5
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0362 0.6743 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0122 0.1975 0.1975
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0432 0.346

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 47 % In vitro inhibition of collagen-induced platelet aggregation in human platelet-rich plasma (PRP) at 273 uM ChEMBL. 8831771
Inhibition (functional) = 47 % In vitro inhibition of collagen-induced platelet aggregation in human platelet-rich plasma (PRP) at 273 uM ChEMBL. 8831771

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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