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

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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