Detailed information for compound 226642

Basic information

Technical information
  • TDR Targets ID: 226642
  • Name: 4-[(Z)-[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-SDXDJHTJSA-N  

Network

Hover on a compound node to display the structore

Synonyms

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

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 19 % In vitro inhibition of collagen-induced platelet aggregation in human platelet-rich plasma (PRP) at 273 uM ChEMBL. 8831771
Inhibition (functional) = 19 % 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.