Detailed information for compound 223539

Basic information

Technical information
  • TDR Targets ID: 223539
  • Name: 4-(2,4-dichloro-5-ethoxyanilino)-6,7-dimethox yquinoline-3-carbonitrile
  • MW: 418.273 | Formula: C20H17Cl2N3O3
  • H donors: 1 H acceptors: 2 LogP: 5.54 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(Nc2c(C#N)cnc3c2cc(OC)c(c3)OC)c(cc1Cl)Cl
  • InChi: 1S/C20H17Cl2N3O3/c1-4-28-17-8-16(13(21)6-14(17)22)25-20-11(9-23)10-24-15-7-19(27-3)18(26-2)5-12(15)20/h5-8,10H,4H2,1-3H3,(H,24,25)
  • InChiKey: ZDGAGSRLFNOPHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2,4-dichloro-5-ethoxy-anilino)-6,7-dimethoxy-quinoline-3-carbonitrile
  • 4-(2,4-dichloro-5-ethoxyanilino)-6,7-dimethoxy-3-quinolinecarbonitrile
  • 4-[(2,4-dichloro-5-ethoxy-phenyl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-ethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-ethoxyphenyl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile
  • 4-Phenylamino-3-quinolinecarbonitrile deriv. 1d

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 Fyn 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 multilocularis tyrosine protein kinase Blk 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 kinase|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
Brugia malayi 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
Echinococcus multilocularis tyrosine protein kinase Fyn 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
Echinococcus granulosus tyrosine protein kinase Fyn 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 granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
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 granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 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 FGR, putative 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
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, 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 Srms Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase 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
Echinococcus multilocularis tyrosine protein kinase Src42A 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
Loa Loa (eye worm) SRC-1 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
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine 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 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 granulosus tyrosine protein kinase Blk 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
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein 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
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
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0034 0.0034
Wolbachia endosymbiont of Brugia malayi aspartyl-tRNA synthetase 0.0049 0.0134 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0093 0.0093
Echinococcus multilocularis aspartyl tRNA synthetase, cytoplasmic 0.0049 0.0134 0.0134
Giardia lamblia Hypothetical protein 0.0146 0.114 1
Schistosoma mansoni hypothetical protein 0.0049 0.0134 0.0041
Entamoeba histolytica hypothetical protein 0.0049 0.0134 0.0327
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.048 0.4596 1
Mycobacterium ulcerans aspartyl-tRNA synthetase 0.0049 0.0134 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0034 0.0034
Loa Loa (eye worm) SRC-1 0.0045 0.0093 0.0093
Plasmodium vivax replication protein A1, large subunit, putative 0.048 0.4596 1
Trypanosoma brucei Replication factor A protein 1 0.048 0.4596 1
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0049 0.0134 0.5
Echinococcus granulosus asparaginyl tRNA synthetase, cytoplasmic 0.0049 0.0134 0.0134
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0047 0.0047
Entamoeba histolytica replication factor A, putative 0.0097 0.0628 0.1537
Entamoeba histolytica aspartyl-tRNA synthetase, putative 0.0049 0.0134 0.0327
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0047 0.0047
Treponema pallidum asparaginyl-tRNA synthetase 0.0049 0.0134 0.5
Toxoplasma gondii OB-fold nucleic acid binding domain-containing protein 0.0252 0.223 0.4697
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0047 0.0047
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.0093 0.0093
Brugia malayi SRC-1 0.0045 0.0093 0.0046
Schistosoma mansoni lysyl-tRNA synthetase 0.0049 0.0134 0.0041
Treponema pallidum aspartyl-tRNA synthetase 0.0049 0.0134 0.5
Echinococcus granulosus asparaginyl tRNA synthetase cytoplasmic 0.0049 0.0134 0.0134
Loa Loa (eye worm) hypothetical protein 0.0049 0.0134 0.0134
Entamoeba histolytica replication factor A protein 1, putative 0.0431 0.4085 1
Echinococcus multilocularis asparaginyl tRNA synthetase 0.0049 0.0134 0.0134
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0093 0.0093
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0952 0.9488 0.9481
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Loa Loa (eye worm) 63kd antigen 0.0049 0.0134 0.0134
Loa Loa (eye worm) BRCA2 repeat family protein 0.0202 0.1718 0.1718
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0093 0.0093
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.1002 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0093 0.0093
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.0049 0.0134 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0093 0.0093
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.1002 1 1
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0049 0.0134 0.0134
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.1002 1 1
Echinococcus granulosus lysyl tRNA synthetase 0.0049 0.0134 0.0134
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0896 0.891 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.048 0.4596 0.4523
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Echinococcus granulosus tyrosine kinase 0.0041 0.0047 0.0047
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0093 0.0093
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.0049 0.0134 0.5
Brugia malayi BRCA2 repeat family protein 0.0202 0.1718 0.1679
Chlamydia trachomatis lysine--tRNA ligase 0.0049 0.0134 0.5
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Entamoeba histolytica asparaginyl-tRNA synthetase, putative 0.0049 0.0134 0.0327
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.0049 0.0134 0.5
Schistosoma mansoni lysyl-tRNA synthetase 0.0049 0.0134 0.0041
Loa Loa (eye worm) aspartyl-tRNA synthetase 0.0049 0.0134 0.0134
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0093 0.0093
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0093 0.0093
Loa Loa (eye worm) TK protein kinase 0.0041 0.0047 0.0047
Brugia malayi Asparaginyl-tRNA synthetase, cytoplasmic 0.0049 0.0134 0.0087
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0047 0.0047
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0093 0.0093
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0093 0.0093
Schistosoma mansoni replication factor A 1 rfa1 0.1002 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0628 0.0628
Leishmania major replication factor A, 51kDa subunit, putative 0.048 0.4596 1
Entamoeba histolytica hypothetical protein 0.0049 0.0134 0.0327
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0093 0.0093
Brugia malayi lysyl-tRNA synthetase 0.0049 0.0134 0.0087
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0047 0.0047
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0093 0.0093
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0093 0.0093
Trypanosoma cruzi Replication factor A protein 1 0.048 0.4596 1
Echinococcus multilocularis asparaginyl tRNA synthetase, cytoplasmic 0.0049 0.0134 0.0134
Brugia malayi Aspartyl-tRNA synthetase 0.0049 0.0134 0.0087
Plasmodium falciparum replication protein A1, large subunit 0.048 0.4596 1
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.1002 1 1
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.1002 1 1
Chlamydia trachomatis aspartate--tRNA(Asp/Asn) ligase 0.0049 0.0134 0.5
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0049 0.0134 0.5
Schistosoma mansoni aspartyl-tRNA synthetase 0.0049 0.0134 0.0041
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0093 0.0093
Echinococcus granulosus aspartyl tRNA synthetase cytoplasmic 0.0049 0.0134 0.0134
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0049 0.0134 0.5
Toxoplasma gondii hypothetical protein 0.0105 0.0712 0.1296
Echinococcus multilocularis lysyl tRNA synthetase 0.0049 0.0134 0.0134

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1200 nM Inhibition against Src kinase ChEMBL. 11689083
IC50 (binding) = 1200 nM Inhibition against Src kinase ChEMBL. 11689083

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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