Detailed information for compound 1456587

Basic information

Technical information
  • TDR Targets ID: 1456587
  • Name: N-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-6-(thi ophen-2-ylmethyl)-1,6-naphthyridine-3-carboxa mide
  • MW: 435.496 | Formula: C23H21N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1NC(=O)c1cc2c(nc1C)ccn(c2=O)Cc1cccs1
  • InChi: 1S/C23H21N3O4S/c1-14-17(22(27)25-20-7-6-15(29-2)11-21(20)30-3)12-18-19(24-14)8-9-26(23(18)28)13-16-5-4-10-31-16/h4-12H,13H2,1-3H3,(H,25,27)
  • InChiKey: XUXYSILTSOWTAM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide
  • N-(2,4-dimethoxyphenyl)-5-keto-2-methyl-6-(2-thienylmethyl)-1,6-naphthyridine-3-carboxamide
  • G267-0290
  • NCGC00130073-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Loa Loa (eye worm) latrophilin receptor protein 2 0.0147 0.1747 0.1711
Loa Loa (eye worm) hypothetical protein 0.0318 0.4176 0.415
Toxoplasma gondii isocitrate dehydrogenase 0.015 0.1788 1
Schistosoma mansoni hypothetical protein 0.0037 0.0175 0.042
Schistosoma mansoni smad 0.005 0.0359 0.0861
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0425 0.1001
Loa Loa (eye worm) hypothetical protein 0.0043 0.0273 0.023
Loa Loa (eye worm) hypothetical protein 0.018 0.2215 0.218
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.015 0.1788 1
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0425 0.1001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0273 0.0654
Brugia malayi RNA binding protein 0.0262 0.3387 0.3357
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0147 0.1747 0.516
Brugia malayi MH1 domain containing protein 0.005 0.0359 0.0316
Brugia malayi MH2 domain containing protein 0.005 0.0359 0.0316
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0273 0.023
Loa Loa (eye worm) TAR-binding protein 0.0262 0.3387 0.3357
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.015 0.1788 0.5279
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0273 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0262 0.3387 0.3357
Loa Loa (eye worm) hypothetical protein 0.0043 0.0273 0.023
Brugia malayi hypothetical protein 0.0035 0.0152 0.0108
Loa Loa (eye worm) beta-lactamase 0.0043 0.0273 0.023
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.015 0.1788 1
Schistosoma mansoni Smad4 0.005 0.0359 0.0861
Brugia malayi MH2 domain containing protein 0.005 0.0359 0.0316
Toxoplasma gondii isocitrate dehydrogenase 0.015 0.1788 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0273 0.023
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.015 0.1788 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0465 0.6269 0.6253
Schistosoma mansoni smad1 5 8 and 0.005 0.0359 0.0861
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0273 0.5
Brugia malayi Latrophilin receptor protein 2 0.0147 0.1747 0.1711
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3387 0.8109
Brugia malayi beta-lactamase 0.0043 0.0273 0.023
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.2215 0.6072
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0175 0.0518
Schistosoma mansoni smad1 5 8 and 0.005 0.0359 0.0861
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0425 0.1001
Schistosoma mansoni smad1 5 8 and 0.005 0.0359 0.0861
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0175 0.0518
Echinococcus granulosus smad 0.005 0.0359 0.1061
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.015 0.1788 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.015 0.1788 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0147 0.1747 0.516
Echinococcus granulosus GPCR family 2 0.0147 0.1747 0.516
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0273 0.0807
Echinococcus multilocularis tar DNA binding protein 0.0262 0.3387 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0273 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0425 0.1001
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0147 0.1747 0.516
Loa Loa (eye worm) isocitrate dehydrogenase 0.015 0.1788 0.1751
Onchocerca volvulus 0.0268 0.3471 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0273 0.0654
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0175 0.042
Trypanosoma brucei isocitrate dehydrogenase, putative 0.015 0.1788 1
Brugia malayi hypothetical protein 0.0054 0.0425 0.0382
Brugia malayi isocitrate dehydrogenase 0.015 0.1788 0.1751
Brugia malayi latrophilin 2 splice variant baaae 0.0318 0.4176 0.415
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.0359 0.1061
Echinococcus multilocularis Smad4 0.005 0.0359 0.1061
Loa Loa (eye worm) hypothetical protein 0.0465 0.6269 0.6253
Brugia malayi TAR-binding protein 0.0262 0.3387 0.3357
Brugia malayi hypothetical protein 0.0037 0.0175 0.0132
Echinococcus multilocularis smad 0.005 0.0359 0.1061
Echinococcus multilocularis isocitrate dehydrogenase 0.015 0.1788 0.5279
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.0359 0.1061
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.015 0.1788 0.5279
Echinococcus granulosus Smad4 0.005 0.0359 0.1061
Echinococcus granulosus tar DNA binding protein 0.0262 0.3387 1
Echinococcus multilocularis GPCR, family 2 0.0147 0.1747 0.516
Loa Loa (eye worm) transcription factor SMAD2 0.0727 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0273 0.023
Brugia malayi MH1 domain containing protein 0.005 0.0359 0.0316
Mycobacterium leprae Probable lipase LipE 0.0043 0.0273 0.5
Loa Loa (eye worm) RNA binding protein 0.0262 0.3387 0.3357
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0273 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0147 0.1747 0.1711
Brugia malayi N-terminal motif family protein 0.018 0.2215 0.218
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3387 0.8109
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.015 0.1788 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0273 0.023
Brugia malayi Pax transcription factor protein 2 0.0268 0.3471 0.3442
Entamoeba histolytica hypothetical protein 0.0037 0.0175 0.5
Schistosoma mansoni hypothetical protein 0.0147 0.1747 0.4184
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.0359 0.0861
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.015 0.1788 0.4281
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.0359 0.1061
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3387 0.8109
Schistosoma mansoni hypothetical protein 0.0318 0.4176 1
Brugia malayi beta-lactamase family protein 0.0043 0.0273 0.023
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0262 0.3387 0.3357
Entamoeba histolytica hypothetical protein 0.0037 0.0175 0.5
Schistosoma mansoni hypothetical protein 0.0147 0.1747 0.4184
Loa Loa (eye worm) MH2 domain-containing protein 0.0727 1 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0273 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0273 0.023
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0465 0.6269 0.6253
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0273 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0147 0.1747 0.516
Mycobacterium ulcerans lipase LipD 0.0043 0.0273 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0175 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.0359 0.0316
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.015 0.1788 0.5279
Schistosoma mansoni hypothetical protein 0.0147 0.1747 0.4184
Mycobacterium ulcerans beta-lactamase 0.0043 0.0273 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.015 0.1788 0.5279
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0273 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0465 0.6269 0.6253
Brugia malayi Isocitrate dehydrogenase 0.015 0.1788 0.1751
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0273 0.0807
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0273 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0268 0.3471 0.3442
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.0359 0.1061
Loa Loa (eye worm) hypothetical protein 0.0147 0.1747 0.1711
Entamoeba histolytica hypothetical protein 0.0037 0.0175 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0425 0.0382
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.015 0.1788 0.4543
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0273 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0425 0.1001
Brugia malayi beta-lactamase family protein 0.0043 0.0273 0.023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.015 0.1788 0.5279
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3387 0.8109
Leishmania major hypothetical protein, conserved 0.0054 0.0425 0.1001
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3607 1
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.0359 0.0316
Schistosoma mansoni hypothetical protein 0.0147 0.1747 0.4184
Schistosoma mansoni tar DNA-binding protein 0.0262 0.3387 0.8109
Brugia malayi Smad1 0.005 0.0359 0.0316
Trichomonas vaginalis esterase, putative 0.0043 0.0273 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0273 0.023
Loa Loa (eye worm) Smad1 0.005 0.0359 0.0316

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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