Detailed information for compound 214097

Basic information

Technical information
  • TDR Targets ID: 214097
  • Name: 4-(2,4-dichloroanilino)-6-methoxy-7-[3-(4-met hylpiperazin-1-yl)propoxy]quinoline-3-carboni trile
  • MW: 500.42 | Formula: C25H27Cl2N5O2
  • H donors: 1 H acceptors: 2 LogP: 5.41 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2c(cc1OCCCN1CCN(CC1)C)ncc(c2Nc1ccc(cc1Cl)Cl)C#N
  • InChi: 1S/C25H27Cl2N5O2/c1-31-7-9-32(10-8-31)6-3-11-34-24-14-22-19(13-23(24)33-2)25(17(15-28)16-29-22)30-21-5-4-18(26)12-20(21)27/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,29,30)
  • InChiKey: MVQUQGLRQPMJPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2,4-dichloroanilino)-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile
  • 4-[(2,4-dichlorophenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
  • 4-(2,4-dichloroanilino)-6-methoxy-7-[3-(4-methylpiperazino)propoxy]quinoline-3-carbonitrile
  • 4-[(2,4-dichlorophenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile
  • 4-Phenylamino-3-quinolinecarbonitrile deriv. 26

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens FYN proto-oncogene, Src family tyrosine kinase 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 granulosus 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
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 granulosus 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
Echinococcus granulosus tyrosine protein kinase Src64B 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
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
Schistosoma japonicum ko:K08892 fyn-related kinase, 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
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 Src64B 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
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, 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 Fyn 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 multilocularis tyrosine protein kinase HCK 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 lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 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 japonicum 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
Echinococcus multilocularis tyrosine protein kinase Fyn 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 proto oncogene tyrosine protein kinase LCK 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 lyn tyrosine protein kinase blk 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 multilocularis tyrosine protein kinase Fgr 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 Src42A 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 Blk 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) SRC-1 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
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 0.008 0.5679 0.5679
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0086 0.6286 0.5325
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0091 0.6732 0.6732
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0126 1 1
Brugia malayi SRC-1 0.0091 0.6732 1
Schistosoma mansoni tyrosine kinase 0.0021 0.0235 0.0235
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0021 0.0235 0.0235
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0086 0.6286 0.5325
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.8567 0.8196
Mycobacterium leprae conserved hypothetical protein 0.004 0.2057 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Schistosoma mansoni tyrosine kinase 0.0091 0.6732 0.6732
Plasmodium falciparum GAF domain-related protein, putative 0.004 0.2057 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0091 0.6732 0.6732
Echinococcus granulosus tyrosine protein kinase HCK 0.0073 0.5076 0.5076
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.004 0.2057 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0056 0.349 0.1804
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0091 0.6732 0.6732
Echinococcus granulosus tyrosine kinase 0.0082 0.5914 0.5914
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0056 0.349 0.349
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0091 0.6732 0.6732
Toxoplasma gondii hypothetical protein 0.0111 0.8567 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.008 0.5679 0.5679
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.004 0.2057 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.2057 0.3055
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0021 0.0235 0.0235
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0056 0.349 0.349
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0091 0.6732 0.6732
Mycobacterium ulcerans putative regulatory protein 0.004 0.2057 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0126 1 1
Schistosoma mansoni tyrosine kinase 0.0021 0.0235 0.0235
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0091 0.6732 0.6732
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0021 0.0235 0.035
Loa Loa (eye worm) TK protein kinase 0.0082 0.5914 0.8785
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0091 0.6732 0.6732
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0091 0.6732 0.6732
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0056 0.349 0.5184
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.349 0.5184
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0091 0.6732 0.6732
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.004 0.2057 0.5
Schistosoma mansoni tyrosine kinase 0.0091 0.6732 0.6732
Brugia malayi protein-tyrosine kinase 0.0082 0.5914 0.8785
Echinococcus granulosus tyrosine protein kinase Fyn 0.0091 0.6732 0.6732
Echinococcus granulosus tyrosine protein kinase Blk 0.0082 0.5914 0.5914
Trichomonas vaginalis conserved hypothetical protein 0.0126 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0091 0.6732 0.6732
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0126 1 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0082 0.5914 0.5914
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0091 0.6732 0.6732
Echinococcus multilocularis tyrosine protein kinase Blk 0.0082 0.5914 0.5914
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0056 0.349 0.1804
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0126 1 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.0091 0.6732 0.6732
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.8567 0.8196
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0082 0.5914 0.5914
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0056 0.349 0.1804
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0091 0.6732 0.6732
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.8567 0.8196
Loa Loa (eye worm) SRC-1 0.0091 0.6732 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0056 0.349 0.349
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0126 1 1
Loa Loa (eye worm) TK protein kinase 0.0073 0.5076 0.7539
Echinococcus granulosus tyrosine protein kinase Fyn 0.0091 0.6732 0.6732
Echinococcus granulosus c src tyrosine kinase 0.0021 0.0235 0.0235
Echinococcus multilocularis tyrosine protein kinase HCK 0.0073 0.5076 0.5076
Echinococcus granulosus tyrosine protein kinase Fyn 0.0091 0.6732 0.6732
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0021 0.0235 0.0235
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0021 0.0235 0.0235
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0126 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0126 1 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0126 1 1
Entamoeba histolytica protein kinase, putative 0.0073 0.5076 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0082 0.5914 0.5914
Echinococcus granulosus tyrosine protein kinase Src64B 0.0091 0.6732 0.6732
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Plasmodium vivax hypothetical protein, conserved 0.004 0.2057 0.5
Mycobacterium ulcerans putative regulatory protein 0.004 0.2057 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0126 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0021 0.0235 0.0235
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0056 0.349 0.5184

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.7 nM Inhibition of Src protein tryrosine kinase ChEMBL. 14552782
IC50 (binding) = 8.7 nM Inhibitory activity against human c-Src Kinase was measured using ELISA assay ChEMBL. 11262092
IC50 (binding) = 8.7 nM Inhibition of Src protein tryrosine kinase ChEMBL. 14552782
IC50 (binding) = 8.7 nM Inhibitory activity against human c-Src Kinase was measured using ELISA assay ChEMBL. 11262092
IC50 (functional) = 1000 nM Inhibition of Src-transformed cell proliferation ChEMBL. 14552782
IC50 (functional) = 1 uM Inhibition of Src-transformed rat fibroblast proliferation in anchorage independent assay ChEMBL. 11262092
IC50 (functional) = 1 uM Inhibition of Src-transformed rat fibroblast proliferation in anchorage independent assay ChEMBL. 11262092
IC50 (functional) = 2.9 uM Inhibition of Fyn-transformed rat fibroblast proliferation in anchorage independent assay ChEMBL. 11262092
IC50 (functional) = 2.9 uM Inhibition of Fyn-transformed rat fibroblast proliferation in anchorage independent assay ChEMBL. 11262092

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

2 literature references were collected for this gene.

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