Detailed information for compound 1192937

Basic information

Technical information
  • TDR Targets ID: 1192937
  • Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridi ne-3-carboxylate hydrate
  • MW: 272.232 | Formula: C12H13N2NaO4
  • H donors: 2 H acceptors: 5 LogP: 1.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc(C(=O)[O-])c(=O)c2c1nc(C)cc2.[Na+].O
  • InChi: 1S/C12H12N2O3.Na.H2O/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;;/h4-6H,3H2,1-2H3,(H,16,17);;1H2/q;+1;/p-1
  • InChiKey: OWEXQJSSKQXXSX-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • sodium 1-ethyl-4-keto-7-methyl-1,8-naphthyridine-3-carboxylate hydrate
  • 15769-77-4
  • 1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid sodium salt
  • 286745_ALDRICH
  • NCGC00017155-01
  • Prestwick-03C08
  • Nalidixic acid sodium salt hydrate
  • ST5319987
  • Prestwick_827
  • D05110
  • Nalidixate sodium (USAN)
  • Nalidixate sodium monohydrate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0032 0.1193 0.1349
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0114 0.5784 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0251 0.0283
Chlamydia trachomatis DNA gyrase subunit B 0.0078 0.3754 0.6674
Entamoeba histolytica DNA topoisomerase II, putative 0.0169 0.8844 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.3279 0.3708
Trypanosoma cruzi DNA topoisomerase II, putative 0.016 0.8335 0.8306
Echinococcus multilocularis musashi 0.0033 0.1226 0.1387
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.3018 0.3413
Schistosoma mansoni hypothetical protein 0.0017 0.0376 0.0425
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0376 0.0425
Brugia malayi Protein kinase domain containing protein 0.0017 0.0376 0.0425
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0376 0.0425
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0376 0.0425
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.3279 0.5307
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.4378 0.495
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0846 0.0774
Chlamydia trachomatis DNA gyrase subunit B 0.0098 0.4909 1
Plasmodium vivax DNA topoisomerase II, putative 0.0169 0.8844 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0189 1 1
Loa Loa (eye worm) TOPoisomerase family member 0.0169 0.8844 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.3279 0.3708
Schistosoma mansoni intermediate filament proteins 0.0033 0.1226 0.1387
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0098 0.4909 1
Schistosoma mansoni lamin 0.0033 0.1226 0.1387
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0376 0.0425
Echinococcus multilocularis lamin dm0 0.0033 0.1226 0.1387
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0671 0.0759
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.3279 0.3708
Echinococcus granulosus lamin 0.0033 0.1226 0.1387
Brugia malayi Death domain containing protein 0.0017 0.0376 0.0425
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0169 0.8844 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0098 0.4909 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0555 0.0627
Trypanosoma cruzi DNA topoisomerase II, putative 0.016 0.8335 0.8306
Loa Loa (eye worm) hypothetical protein 0.0017 0.0376 0.0425
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1226 0.1387
Loa Loa (eye worm) hypothetical protein 0.0015 0.0251 0.0283
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0098 0.4909 0.5551
Brugia malayi Probable DNA topoisomerase II 0.0169 0.8844 1
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0543 0.0614
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0284 0.0321
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0098 0.4909 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0169 0.8844 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0846 0.0774
Loa Loa (eye worm) hypothetical protein 0.0069 0.3245 0.3668
Echinococcus granulosus lamin dm0 0.0033 0.1226 0.1387
Brugia malayi Uncoordinated protein 44 0.0017 0.0376 0.0425
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0376 0.0425
Loa Loa (eye worm) hypothetical protein 0.0033 0.1226 0.1387
Schistosoma mansoni DNA topoisomerase II 0.0169 0.8844 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.5793 0.655
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1226 0.1387
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0368 0.0416
Echinococcus granulosus Ankyrin 0.0018 0.0384 0.0434
Trypanosoma brucei DNA topoisomerase II beta, putative 0.016 0.8335 0.8306
Loa Loa (eye worm) hypothetical protein 0.0016 0.0284 0.0321
Loa Loa (eye worm) RecQ helicase 0.0026 0.0846 0.0957
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.016 0.8335 0.8306
Plasmodium falciparum DNA gyrase subunit B 0.0098 0.4909 0.5551
Echinococcus multilocularis Ankyrin 0.0018 0.0384 0.0434
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0284 0.0321
Loa Loa (eye worm) hypothetical protein 0.0069 0.3245 0.3668
Giardia lamblia DNA topoisomerase II 0.016 0.8353 1
Plasmodium falciparum DNA gyrase subunit A 0.0036 0.1435 0.1623
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0169 0.8844 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.3279 0.3159
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0381 0.043
Echinococcus granulosus death domain containing protein 0.0017 0.0376 0.0425
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.3279 0.5307
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0846 0.0957
Trypanosoma brucei DNA topoisomerase ii 0.0189 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.5793 0.655
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0114 0.5784 1
Leishmania major DNA topoisomerase ii 0.016 0.8335 0.8306
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0169 0.8844 1
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0044 0.1858 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1226 0.1387
Echinococcus granulosus intermediate filament protein 0.0033 0.1226 0.1387
Schistosoma mansoni netrin receptor unc5 0.0017 0.0376 0.0425
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0036 0.1435 0.1623
Mycobacterium ulcerans DNA gyrase subunit B 0.0098 0.4909 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.4378 0.495
Plasmodium vivax DNA gyrase subunit B, putative 0.0098 0.4909 0.5351
Toxoplasma gondii DNA topoisomerase 2, putative 0.0169 0.8844 1
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0846 0.0957
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.3279 0.3708
Loa Loa (eye worm) hypothetical protein 0.0023 0.0702 0.0794
Plasmodium vivax DNA gyrase subunit A, putative 0.0036 0.1435 0.1247
Echinococcus granulosus bloom syndrome protein 0.0026 0.0846 0.0957
Trichomonas vaginalis DNA topoisomerase II, putative 0.0169 0.8844 1
Schistosoma mansoni lamin 0.0033 0.1226 0.1387
Loa Loa (eye worm) hypothetical protein 0.0023 0.0702 0.0794
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0384 0.0434
Onchocerca volvulus 0.0033 0.1226 0.1572
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0381 0.043
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0189 1 1
Brugia malayi intermediate filament protein 0.0033 0.1226 0.1387
Echinococcus multilocularis lamin 0.0033 0.1226 0.1387
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0376 0.0425
Plasmodium falciparum DNA topoisomerase 2 0.0169 0.8844 1
Onchocerca volvulus 0.0033 0.1226 0.1572
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.3279 0.5307
Loa Loa (eye worm) hypothetical protein 0.0023 0.0702 0.0794
Loa Loa (eye worm) hypothetical protein 0.0018 0.0384 0.0434
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0376 0.0425
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0114 0.5784 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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