Detailed information for compound 174695

Basic information

Technical information
  • TDR Targets ID: 174695
  • Name: 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methy lpiperazin-1-yl)anilino]-1,6-naphthyridin-2-o ne
  • MW: 494.416 | Formula: C26H25Cl2N5O
  • H donors: 1 H acceptors: 2 LogP: 5.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccc(cc1)Nc1ncc2c(c1)n(C)c(=O)c(c2)c1c(Cl)cccc1Cl
  • InChi: 1S/C26H25Cl2N5O/c1-31-10-12-33(13-11-31)19-8-6-18(7-9-19)30-24-15-23-17(16-29-24)14-20(26(34)32(23)2)25-21(27)4-3-5-22(25)28/h3-9,14-16H,10-13H2,1-2H3,(H,29,30)
  • InChiKey: GMKQAXFNIGTRDK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methyl-1-piperazinyl)anilino]-1,6-naphthyridin-2-one
  • 3-(2,6-dichlorophenyl)-1-methyl-7-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,6-naphthyridin-2-one
  • 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazino)anilino]-1,6-naphthyridin-2-one
  • 3-(2,6-dichlorophenyl)-1-methyl-7-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-1,6-naphthyridin-2-one
  • 1,6-naphthyridin-2(1H)-one deriv. 7u

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus platelet derived growth factor receptor, beta polypeptide Starlite/ChEMBL References
Homo sapiens fibroblast growth factor receptor 1 Starlite/ChEMBL References
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128769 All targets in OG5_128769
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Fibroblast growth factor receptor precursor, putative Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
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) solute carrier family 8 1.3126 1 1
Echinococcus granulosus Immunoglobulin 0.0028 0.0012 0.0012
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0048 0.0027 0.0027
Schistosoma mansoni vesicular amine transporter 0.0028 0.0012 0.0012
Echinococcus granulosus roundabout 2 0.0036 0.0019 0.0018
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0331 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0331 0.0244 0.0232
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0331 0.0244 0.0244
Schistosoma mansoni tyrosine kinase 0.0013 0.0001 0.0001
Loa Loa (eye worm) SRC-1 0.0048 0.0027 0.0015
Echinococcus granulosus tyrosine protein kinase Lyn 0.0048 0.0027 0.0027
Echinococcus granulosus defective proboscis extension response 0.0028 0.0012 0.0012
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0331 0.0244 0.0608
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0331 0.0244 0.0243
Toxoplasma gondii manganese resistance 1 protein, putative 0.0331 0.0244 0.5
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0331 0.0244 0.0232
Echinococcus multilocularis tyrosine protein kinase Srms 0.0044 0.0024 0.0023
Echinococcus granulosus twitchin 0.0032 0.0015 0.0014
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0024 0.0023
Echinococcus granulosus tyrosine protein kinase HCK 0.0039 0.0021 0.002
Echinococcus multilocularis Immunoglobulin 0.0028 0.0012 0.0012
Loa Loa (eye worm) TK protein kinase 0.0126 0.0087 0.0075
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0048 0.0027 0.0027
Echinococcus granulosus tyrosine kinase 0.0044 0.0024 0.0023
Schistosoma mansoni na/ca exchanger 0.0331 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0331 0.0244 0.0232
Schistosoma mansoni tyrosine kinase 0.0013 0.0001 0.0001
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0331 0.0244 0.0243
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0123 0.0085 0.0084
Echinococcus granulosus tyrosine protein kinase Fyn 0.0048 0.0027 0.0027
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0048 0.0027 0.0027
Echinococcus multilocularis sodium calcium exchanger 1.3126 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0044 0.0024 0.0023
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0021 0.0021
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0123 0.0085 0.0084
Echinococcus multilocularis neuroglian 0.0032 0.0015 0.0014
Schistosoma mansoni hypothetical protein 0.0331 0.0244 0.0244
Plasmodium vivax cation/H+ antiporter, putative 0.0331 0.0244 0.5
Schistosoma mansoni tyrosine kinase 0.0123 0.0085 0.0085
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0028 0.0012 0.0012
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0331 0.0244 0.0243
Echinococcus granulosus neuroglian 0.0032 0.0015 0.0014
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0331 0.0244 0.0243
Echinococcus multilocularis Immunoglobulin 0.0028 0.0012 0.0012
Echinococcus granulosus tyrosine protein kinase Src64B 0.0048 0.0027 0.0027
Echinococcus granulosus tyrosine protein kinase Fyn 0.0048 0.0027 0.0027
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0048 0.0027 0.0027
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0331 0.0244 0.0608
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0331 0.0244 0.5
Loa Loa (eye worm) TK protein kinase 0.0039 0.0021 0.0008
Echinococcus granulosus tyrosine protein kinase Fyn 0.0048 0.0027 0.0027
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0021 0.0021
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0331 0.0244 1
Brugia malayi Sodium/calcium exchanger protein 0.5251 0.3995 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0048 0.0027 0.0027
Schistosoma mansoni nephrin 0.0032 0.0015 0.0015
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0033 0.0016 0.0015
Echinococcus granulosus tyrosine protein kinase Src42A 0.0048 0.0027 0.0027
Echinococcus multilocularis roundabout 2 0.0036 0.0019 0.0018
Treponema pallidum hypothetical protein 0.0331 0.0244 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0044 0.0024 0.0023
Loa Loa (eye worm) hypothetical protein 0.0036 0.0019 0.0006
Loa Loa (eye worm) TK protein kinase 0.0044 0.0024 0.0012
Schistosoma mansoni tyrosine kinase 0.0048 0.0027 0.0027
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0123 0.0085 0.0084
Loa Loa (eye worm) hypothetical protein 0.0033 0.0016 0.0003
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0048 0.0027 0.0027
Plasmodium falciparum cation/H+ antiporter 0.0331 0.0244 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0012 0.0029
Loa Loa (eye worm) hypothetical protein 0.0036 0.0019 0.0006
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0048 0.0027 0.0027
Brugia malayi protein-tyrosine kinase 0.0044 0.0024 0.0059
Echinococcus multilocularis tyrosine protein kinase HCK 0.0039 0.0021 0.002
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0028 0.0012 0.0012
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0048 0.0027 0.0027
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0048 0.0027 0.0027
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0331 0.0244 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.0044 0.0024 0.0023
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0028 0.0012 0.0012
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0019 0.0045
Brugia malayi hypothetical protein 0.0028 0.0012 0.0029
Trichomonas vaginalis alpha-L-fucosidase, putative 0.2315 0.1756 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0048 0.0027 0.0027
Echinococcus granulosus fibroblast growth factor receptor 4 0.0123 0.0085 0.0084
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0331 0.0244 0.5
Schistosoma mansoni tyrosine kinase 0.0048 0.0027 0.0027
Schistosoma mansoni sodium/calcium exchanger 1.3126 1 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.0244 0.0232
Brugia malayi Fibronectin type III domain containing protein 0.0028 0.0012 0.0029
Schistosoma mansoni cell adhesion molecule 0.0033 0.0016 0.0016
Brugia malayi SRC-1 0.0048 0.0027 0.0067
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0013 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.5251 0.3995 0.3987
Brugia malayi Immunoglobulin I-set domain containing protein 0.0126 0.0087 0.0217
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0036 0.0019 0.0006
Trichomonas vaginalis alpha-L-fucosidase, putative 0.2315 0.1756 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0048 0.0027 0.0027

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.023 uM Inhibitory activity against avian c-Src tyrosine kinase was determined. ChEMBL. 10956222
IC50 (binding) = 0.023 uM Inhibitory activity against avian c-Src tyrosine kinase was determined. ChEMBL. 10956222
IC50 (binding) = 0.042 uM Inhibitory activity against fibroblast growth factor receptor 1 ChEMBL. 10956222
IC50 (binding) = 0.042 uM Inhibitory activity against fibroblast growth factor receptor 1 ChEMBL. 10956222
IC50 (binding) = 0.26 uM Inhibitory activity against mouse PDGF beta receptor tyrosine kinase ChEMBL. 10956222
IC50 (binding) = 0.26 uM Inhibitory activity against mouse PDGF beta receptor tyrosine kinase ChEMBL. 10956222
IC50 (functional) = 0.83 uM Inhibitory activity against HT-29 human colon adenocarcinoma cells was determined. ChEMBL. 10956222
IC50 (functional) = 0.83 uM Inhibitory activity against HT-29 human colon adenocarcinoma cells was determined. ChEMBL. 10956222
IC50 (functional) = 2.1 uM Inhibitory activity against HCT-8 human colon adenocarcinoma cells was determined. ChEMBL. 10956222
IC50 (functional) = 2.1 uM Inhibitory activity against HCT-8 human colon adenocarcinoma cells was determined. ChEMBL. 10956222
IC50 (functional) = 4.3 uM Inhibitory activity against SW-620 human colon adenocarcinoma cells was determined. ChEMBL. 10956222
IC50 (functional) = 4.3 uM Inhibitory activity against SW-620 human colon adenocarcinoma cells was determined. ChEMBL. 10956222

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10956222

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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