Detailed information for compound 344704

Basic information

Technical information
  • TDR Targets ID: 344704
  • Name: 4-(2-chloro-5-methoxy-4-methylanilino)-8-[2-( 4-hydroxypiperidin-1-yl)ethoxy]-7-methoxybenz o[g]quinoline-3-carbonitrile
  • MW: 547.045 | Formula: C30H31ClN4O4
  • H donors: 2 H acceptors: 3 LogP: 5.75 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2cc3c(cc2cc1OCCN1CCC(CC1)O)ncc(c3Nc1cc(OC)c(cc1Cl)C)C#N
  • InChi: 1S/C30H31ClN4O4/c1-18-10-24(31)26(15-27(18)37-2)34-30-21(16-32)17-33-25-12-20-14-29(28(38-3)13-19(20)11-23(25)30)39-9-8-35-6-4-22(36)5-7-35/h10-15,17,22,36H,4-9H2,1-3H3,(H,33,34)
  • InChiKey: RPEJFDATCICOSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-chloro-5-methoxy-4-methyl-anilino)-8-[2-(4-hydroxy-1-piperidyl)ethoxy]-7-methoxy-benzo[g]quinoline-3-carbonitrile
  • 4-(2-chloro-5-methoxy-4-methylanilino)-8-[2-(4-hydroxy-1-piperidinyl)ethoxy]-7-methoxy-3-benzo[g]quinolinecarbonitrile
  • 4-[(2-chloro-5-methoxy-4-methyl-phenyl)amino]-8-[2-(4-hydroxypiperidin-1-yl)ethoxy]-7-methoxy-benzo[g]quinoline-3-carbonitrile
  • 4-(2-chloro-5-methoxy-4-methyl-anilino)-8-[2-(4-hydroxypiperidino)ethoxy]-7-methoxy-benzo[g]quinoline-3-carbonitrile
  • 4-[(2-chloro-5-methoxy-4-methylphenyl)amino]-8-[2-(4-hydroxypiperidin-1-yl)ethoxy]-7-methoxybenzo[g]quinoline-3-carbonitrile
  • 4-[(2-chloro-5-methoxy-4-methyl-phenyl)amino]-8-[2-(4-hydroxy-1-piperidyl)ethoxy]-7-methoxy-benzo[g]quinoline-3-carbonitrile
  • 4-[(2-chloro-5-methoxy-4-methylphenyl)amino]-8-[2-(4-hydroxy-1-piperidinyl)ethoxy]-7-methoxy-3-benzo[g]quinolinecarbonitrile
  • 4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitrile 17g

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 Src64B 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 FGR, putative 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 multilocularis tyrosine protein kinase Blk 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 tyrosine protein kinase Fyn 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 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 kinase|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 multilocularis tyrosine protein kinase Fyn 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 multilocularis tyrosine protein kinase Fgr 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
Entamoeba histolytica protein kinase, 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
Loa Loa (eye worm) TK protein kinase 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
Echinococcus granulosus tyrosine protein kinase HCK 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 lyn tyrosine protein kinase blk 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 multilocularis 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
Schistosoma mansoni 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 japonicum Proto-oncogene tyrosine-protein kinase FYN, putative 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 lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 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 Src64B 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 Src42A 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 kinase 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 ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative 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) SRC-1 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
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.1281 0.328 0.4956
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0174 0.0354 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0015 0.0015
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0082 0.0111 0.0162
Schistosoma mansoni carbonic anhydrase-related 0.0082 0.0111 0.025
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0082 0.0111 0.0162
Echinococcus multilocularis carbonic anhydrase II 0.0174 0.0354 0.0354
Toxoplasma gondii hypothetical protein 0.0082 0.0111 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0082 0.0111 0.025
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.1052 0.2674 0.696
Brugia malayi Hemopexin family protein 0.1491 0.3836 0.5796
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0174 0.0354 0.0888
Loa Loa (eye worm) hypothetical protein 0.1052 0.2674 0.404
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0015 0.0015
Loa Loa (eye worm) carbonic anhydrase 3 0.0174 0.0354 0.0531
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0015 0.0015
Plasmodium falciparum carbonic anhydrase 0.0082 0.0111 0.5
Onchocerca volvulus Matrilysin homolog 0.2332 0.6059 1
Brugia malayi Matrixin family protein 0.1052 0.2674 0.404
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0003 0.0003
Echinococcus granulosus carbonic anhydrase II 0.0174 0.0354 0.0354
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0015 0.0015
Schistosoma mansoni carbonic anhydrase 0.0082 0.0111 0.025
Mycobacterium ulcerans hydrolase 0.1281 0.328 0.5
Loa Loa (eye worm) matrix metalloproteinase 0.1052 0.2674 0.404
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0015 0.0015
Brugia malayi Matrixin family protein 0.2543 0.6615 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0174 0.0354 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0015 0.0015
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0015 0.0015
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0174 0.0354 0.0531
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0082 0.0111 0.0162
Schistosoma mansoni polycystin 1-related 0.0275 0.0622 0.1588
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.0015 0.0015
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0174 0.0354 0.0888
Echinococcus multilocularis carbonic anhydrase 0.0082 0.0111 0.0111
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0015 0.0015
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0082 0.0111 0.0162
Brugia malayi Matrixin family protein 0.1052 0.2674 0.404
Mycobacterium leprae PROBABLE HYDROLASE 0.1281 0.328 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0851 0.2143 0.557
Echinococcus multilocularis carbonic anhydrase 0.0082 0.0111 0.0111
Echinococcus granulosus carbonic anhydrase 0.0082 0.0111 0.0111
Echinococcus granulosus carbonic anhydrase 0.0082 0.0111 0.0111
Brugia malayi Matrixin family protein 0.1052 0.2674 0.404
Loa Loa (eye worm) hypothetical protein 0.1052 0.2674 0.404
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0174 0.0354 0.0531
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0082 0.0111 0.0162
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0003 0.0003
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0015 0.0015
Onchocerca volvulus 0.1491 0.3836 0.3431
Loa Loa (eye worm) hypothetical protein 0.0082 0.0111 0.0162
Loa Loa (eye worm) hypothetical protein 0.0082 0.0111 0.0162
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0082 0.0111 0.0162
Brugia malayi Matrixin family protein 0.1052 0.2674 0.404
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.3129 0.8166 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.2332 0.6059 1
Echinococcus granulosus tyrosine kinase 0.0041 0.0003 0.0003
Brugia malayi SRC-1 0.0045 0.0015 0.0018
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0015 0.0015
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0174 0.0354 0.0531
Loa Loa (eye worm) matrixin family protein 0.2543 0.6615 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0015 0.0015
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0082 0.0111 0.0162
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0015 0.0015
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.3823 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0015 0.0015
Loa Loa (eye worm) SRC-1 0.0045 0.0015 0.0018
Echinococcus granulosus carbonic anhydrase 0.0082 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.1491 0.3836 1
Loa Loa (eye worm) hypothetical protein 0.1281 0.328 0.4956
Trypanosoma brucei carbonic anhydrase-like protein 0.0174 0.0354 0.5
Schistosoma mansoni hypothetical protein 0.0082 0.0111 0.025
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0003 0.0003
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.1281 0.328 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0082 0.0111 0.025
Leishmania major carbonic anhydrase-like protein 0.0174 0.0354 0.5
Echinococcus multilocularis carbonic anhydrase 0.0082 0.0111 0.0111
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0003 0.0003
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0003 0.0003
Loa Loa (eye worm) matrixin family protein 0.2332 0.6059 0.9159
Loa Loa (eye worm) hypothetical protein 0.1052 0.2674 0.404

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.55 nM Inhibitory concentration against Src kinase ChEMBL. 16161995
IC50 (binding) = 0.55 nM Inhibitory concentration against Src kinase ChEMBL. 16161995
IC50 (functional) = 28 nM Inhibitory concentration against Src-transformed fibroblast proliferation ChEMBL. 16161995
IC50 (functional) = 28 nM Inhibitory concentration against Src-transformed fibroblast proliferation ChEMBL. 16161995

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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