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

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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