Detailed information for compound 59177

Basic information

Technical information
  • TDR Targets ID: 59177
  • Name: 1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyrid ine-3-carboxylic acid
  • MW: 302.328 | Formula: C15H18N4O3
  • H donors: 2 H acceptors: 4 LogP: -0.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)O)c(=O)c2c1nc(cc2)N1CCNCC1
  • InChi: 1S/C15H18N4O3/c1-2-18-9-11(15(21)22)13(20)10-3-4-12(17-14(10)18)19-7-5-16-6-8-19/h3-4,9,16H,2,5-8H2,1H3,(H,21,22)
  • InChiKey: VWOHDTYQWAUQPW-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-ethyl-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid
  • 1-ethyl-4-keto-7-piperazino-1,8-naphthyridine-3-carboxylic acid
  • 1-ethyl-4-keto-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic 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
Brugia malayi serine/threonine protein kinase 6 0.0284 0.0313 0.1599
Brugia malayi serine/threonine-protein kinase 6 0.0284 0.0313 0.1599
Trichomonas vaginalis CAMK family protein kinase 0.0362 0.0412 1
Loa Loa (eye worm) AUR protein kinase 0.0284 0.0313 0.1599
Entamoeba histolytica protein kinase , putative 0.0284 0.0313 0.5
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0362 0.0412 0.0103
Trichomonas vaginalis AGC family protein kinase 0.0284 0.0313 0.6877
Toxoplasma gondii aurora kinase 0.0284 0.0313 1
Brugia malayi hypothetical protein 0.1578 0.1956 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0284 0.0313 0.5
Trichomonas vaginalis AGC family protein kinase 0.0284 0.0313 0.6877
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.2235 0.2789 0.2789
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0362 0.0412 1
Loa Loa (eye worm) hypothetical protein 0.1578 0.1956 1
Entamoeba histolytica protein kinase, putative 0.0284 0.0313 0.5
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0284 0.0313 0.5
Trypanosoma brucei aurora B kinase 0.0284 0.0313 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0362 0.0412 0.0103
Loa Loa (eye worm) AUR protein kinase 0.0284 0.0313 0.1599
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.7917 1 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0094 0.0479
Brugia malayi hypothetical protein 0.0111 0.0094 0.0479
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0284 0.0313 0.5
Loa Loa (eye worm) AUR protein kinase 0.0284 0.0313 0.1599
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.2235 0.2789 0.5
Entamoeba histolytica protein kinase, putative 0.0284 0.0313 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0284 0.0313 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0362 0.0412 1
Trichomonas vaginalis AGC family protein kinase 0.0284 0.0313 0.6877
Echinococcus multilocularis thymidine phosphorylase 0.7917 1 1
Brugia malayi Protein kinase domain containing protein 0.0362 0.0412 0.2108
Brugia malayi serine/threonine kinase 12 0.0284 0.0313 0.1599
Loa Loa (eye worm) TTK protein kinase 0.0362 0.0412 0.2108
Trypanosoma cruzi aurora B kinase, putative 0.0284 0.0313 1
Trichomonas vaginalis AGC family protein kinase 0.0284 0.0313 0.6877
Entamoeba histolytica protein kinase domain containing protein 0.0284 0.0313 0.5
Leishmania major protein kinase, putative 0.0284 0.0313 1
Giardia lamblia Kinase, TTK 0.0362 0.0412 1
Mycobacterium ulcerans thymidine phosphorylase 0.7917 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0284 0.0313 1
Trichomonas vaginalis CAMK family protein kinase 0.0362 0.0412 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 3.1 ug ml-1 Antibacterial activity of the compound against Escherichia coli (H560) ChEMBL. 3005575
MIC (functional) = 3.1 ug ml-1 Antibacterial activity of the compound against Escherichia coli (H560) ChEMBL. 3005575
MIC (functional) = 6.25 ug ml-1 Compound was tested in vitro for antibacterial activity against the microbial strain E. coli NIHJ JC-2. ChEMBL. 3114492
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against Escherichia coli NIHJ JC-2 ChEMBL. 6422043
MIC (functional) = 6.25 ug ml-1 Compound was tested in vitro for antibacterial activity against the microbial strain E. coli NIHJ JC-2. ChEMBL. 3114492
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against Escherichia coli NIHJ JC-2 ChEMBL. 6422043
MIC (functional) = 6.3 ug ml-1 Antibacterial activity of the compound against Escherichia coli (vogel) ChEMBL. 3005575
MIC (functional) = 6.3 ug ml-1 Antibacterial activity of the compound against Escherichia coli (vogel) ChEMBL. 3005575
MIC (functional) = 12.5 ug ml-1 Compound was tested in vitro for antibacterial activity against the microbial strain S. aureus 209P JC-1. ChEMBL. 3114492
MIC (functional) = 12.5 ug ml-1 Compound was tested in vitro for antibacterial activity against the microbial strainP. aeruginosa 12. ChEMBL. 3114492
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Klebsiella pneumonia (MGH-2) ChEMBL. 3005575
MIC (functional) = 12.5 ug ml-1 Antibacterial activity of the compound against Pseudomonas aeruginosa (UI-18) ChEMBL. 3005575
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Klebsiella pneumonia (MGH-2) ChEMBL. 3005575
MIC (functional) = 12.5 ug ml-1 Antibacterial activity of the compound against Pseudomonas aeruginosa (UI-18) ChEMBL. 3005575
MIC (functional) = 25 ug ml-1 Antibacterial activity against Staphylococcus aureus 209PJC-1 ChEMBL. 6422043
MIC (functional) = 25 ug ml-1 Antibacterial activity against Pseudomonas aeruginosa Tsuchijima ChEMBL. 6422043
MIC (functional) = 50 ug ml-1 Antibacterial activity of the compound against Staphylococcus aureus (H228) ChEMBL. 3005575
MIC (functional) = 50 ug ml-1 Antibacterial activity of the compound against Streptococcus pneumoniae (SV-1) ChEMBL. 3005575
MIC (functional) = 50 ug ml-1 Antibacterial activity of the compound against Staphylococcus aureus (H228) ChEMBL. 3005575
MIC (functional) = 50 ug ml-1 Antibacterial activity of the compound against Streptococcus pneumoniae (SV-1) ChEMBL. 3005575
MIC (functional) = 75 ug ml-1 MIC of the compound at which cleaved DNA (linear) is observed at an intensity relative to oxolinic acid at 10 microg/mL by using Gyrase Induced DNA-Cleavage assay ChEMBL. 3005575
MIC (functional) = 75 ug ml-1 MIC of the compound at which cleaved DNA (linear) is observed at an intensity relative to oxolinic acid at 10 microg/mL by using Gyrase Induced DNA-Cleavage assay ChEMBL. 3005575

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

3 literature references were collected for this gene.

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