Detailed information for compound 169780

Basic information

Technical information
  • TDR Targets ID: 169780
  • Name: 1-ethyl-7-(4-methylpiperazin-1-yl)-4-oxo-1,8- naphthyridine-3-carboxylic acid
  • MW: 316.355 | Formula: C16H20N4O3
  • H donors: 1 H acceptors: 4 LogP: -0.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)O)c(=O)c2c1nc(cc2)N1CCN(CC1)C
  • InChi: 1S/C16H20N4O3/c1-3-19-10-12(16(22)23)14(21)11-4-5-13(17-15(11)19)20-8-6-18(2)7-9-20/h4-5,10H,3,6-9H2,1-2H3,(H,22,23)
  • InChiKey: VKZNRDPELSYJLL-UHFFFAOYSA-N  

Network

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Synonyms

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

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against Escherichia coli NIHJ JC-2 ChEMBL. 6422043
MIC (functional) = 6.25 ug ml-1 Antibacterial activity against Escherichia coli NIHJ JC-2 ChEMBL. 6422043
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

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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