Detailed information for compound 59163

Basic information

Technical information
  • TDR Targets ID: 59163
  • Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7 -[(1-methylpiperidin-3-yl)methoxy]quinoline-3 -carbonitrile
  • MW: 501.405 | Formula: C25H26Cl2N4O3
  • H donors: 1 H acceptors: 2 LogP: 5.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2c(cc1OCC1CCCN(C1)C)ncc(c2Nc1cc(OC)c(cc1Cl)Cl)C#N
  • InChi: 1S/C25H26Cl2N4O3/c1-31-6-4-5-15(13-31)14-34-24-9-20-17(7-23(24)33-3)25(16(11-28)12-29-20)30-21-10-22(32-2)19(27)8-18(21)26/h7-10,12,15H,4-6,13-14H2,1-3H3,(H,29,30)
  • InChiKey: MXWHSGSOZDOVLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-[(1-methyl-3-piperidyl)methoxy]quinoline-3-carbonitrile
  • 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methyl-3-piperidinyl)methoxy]-3-quinolinecarbonitrile
  • 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-6-methoxy-7-[(1-methylpiperidin-3-yl)methoxy]quinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methylpiperidin-3-yl)methoxy]quinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-6-methoxy-7-[(1-methyl-3-piperidyl)methoxy]quinoline-3-carbonitrile
  • 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methyl-3-piperidinyl)methoxy]-3-quinolinecarbonitrile
  • 4-phenylamino-3-quinolinecarbonitrile 10

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References
Homo sapiens ABL proto-oncogene 1, non-receptor tyrosine kinase References
Homo sapiens ABL proto-oncogene 2, 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 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 lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus tyrosine kinase|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
Echinococcus multilocularis tyrosine protein kinase Abl Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus 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 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
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 Proto-oncogene tyrosine-protein kinase FYN, 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
Loa Loa (eye worm) TK/ABL protein kinase Get druggable targets OG5_131234 All targets in OG5_131234
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
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 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 ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative 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 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_127750 All targets in OG5_127750
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase ABL1, putative Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
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
Brugia malayi Tyrosine-protein kinase abl-1 Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis 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 proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
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 japonicum ko:K08892 fyn-related kinase, 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 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
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Blk 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 Lyn 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 Proto-oncogene tyrosine-protein kinase Yrk, 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 HCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase 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 Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.0493 0.0411
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0098 0.0493 0.1244
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0493 0.0411
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0098 0.0493 0.1244
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0062 0.0195 0.0492
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0098 0.0493 0.1078
Schistosoma mansoni nuclear hormone receptor 0.0098 0.0493 0.1078
Loa Loa (eye worm) hypothetical protein 0.1236 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0098 0.0493 0.1244
Echinococcus multilocularis thyroid hormone receptor alpha 0.0098 0.0493 0.1244
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0062 0.0195 0.0492
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0098 0.0493 0.1078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0098 0.0493 0.0493
Loa Loa (eye worm) TK/ABL protein kinase 0.0513 0.3965 0.3965
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0098 0.0493 0.0411
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0203 0.0118
Echinococcus multilocularis tyrosine protein kinase Blk 0.005 0.0099 0.0249
Schistosoma mansoni tyrosine kinase 0.0501 0.3866 1
Echinococcus multilocularis FTZ F1 alpha 0.0098 0.0493 0.1244
Echinococcus multilocularis tyrosine protein kinase Abl 0.0217 0.1492 0.3762
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0063 0.0203 0.0203
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0098 0.0493 0.0411
Echinococcus granulosus tyrosine protein kinase Src64B 0.0062 0.0195 0.0492
Leishmania major malonyl-coa decarboxylase-like protein 0.0486 0.3734 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0062 0.0195 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0098 0.0493 0.0411
Loa Loa (eye worm) SRC-1 0.0062 0.0195 0.0195
Echinococcus granulosus tyrosine kinase 0.005 0.0099 0.0249
Echinococcus multilocularis geminin 0.0172 0.1111 0.2801
Brugia malayi hypothetical protein 0.0063 0.0203 0.0118
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0098 0.0493 0.0493
Onchocerca volvulus Bile acid receptor homolog 0.0728 0.5759 1
Schistosoma mansoni coup transcription factor 0.0098 0.0493 0.1078
Schistosoma mansoni hypothetical protein 0.0172 0.1111 0.2711
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0098 0.0493 0.0493
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0486 0.3734 0.5
Brugia malayi nuclear hormone receptor 0.0098 0.0493 0.0411
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0098 0.0493 0.1244
Loa Loa (eye worm) hypothetical protein 0.0063 0.0203 0.0203
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0098 0.0493 0.1244
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0098 0.0493 0.1244
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0098 0.0493 0.1078
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0062 0.0195 0.0492
Brugia malayi Tyrosine-protein kinase abl-1 0.0308 0.2248 0.2181
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0195 0.0492
Schistosoma mansoni thyroid hormone receptor 0.0098 0.0493 0.1078
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0098 0.0493 0.1078
Loa Loa (eye worm) hypothetical protein 0.0063 0.0203 0.0203
Brugia malayi ecdysteroid receptor 0.0728 0.5759 0.5722
Schistosoma mansoni RAR-like nuclear receptor 0.0098 0.0493 0.1078
Echinococcus granulosus tyrosine protein kinase ABL1 0.0513 0.3965 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 0.0203 0.031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0098 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0728 0.5759 0.5759
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0098 0.0493 0.1078
Brugia malayi nuclear receptor NHR-88 0.0098 0.0493 0.0411
Brugia malayi Nuclear hormone receptor-like 1 0.0098 0.0493 0.0411
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1236 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Onchocerca volvulus Protein ultraspiracle homolog 0.0098 0.0493 0.0718
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0099 0.0249
Brugia malayi Steroid receptor seven-up type 2 0.0098 0.0493 0.0411
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.0493 0.0411
Loa Loa (eye worm) hypothetical protein 0.0063 0.0203 0.0203
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0195 0.0492
Schistosoma mansoni retinoic acid receptor RXR 0.0098 0.0493 0.1078
Loa Loa (eye worm) hypothetical protein 0.0063 0.0203 0.0203
Brugia malayi hypothetical protein 0.0239 0.1677 0.1605
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0195 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.0493 0.0411
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0098 0.0493 0.0493
Brugia malayi nuclear receptor RXR 0.0063 0.0203 0.0118
Schistosoma mansoni steroid hormone receptor ad4bp 0.0098 0.0493 0.1078
Echinococcus granulosus FTZ F1 alpha 0.0098 0.0493 0.1244
Loa Loa (eye worm) hypothetical protein 0.0063 0.0203 0.0203
Schistosoma mansoni hypothetical protein 0.0172 0.1111 0.2711
Entamoeba histolytica protein kinase, putative 0.0039 0 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.005 0.0099 0.0249
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.0493 0.1244
Loa Loa (eye worm) TK protein kinase 0.005 0.0099 0.0099
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.0493 0.1244
Brugia malayi Tyrosine-protein kinase abl-1 0.0217 0.1492 0.1418
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0493 0.0411
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.0493 0.0411
Onchocerca volvulus 0.0098 0.0493 0.0718
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.1677 0.423
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Brugia malayi Nuclear hormone receptor-like 1 0.0063 0.0203 0.0118
Echinococcus granulosus tyrosine protein kinase Src42A 0.0047 0.0071 0.0179
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0062 0.0195 0.0492
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0195 0.0492
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0098 0.0493 0.1244
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.0493 0.1244
Brugia malayi hypothetical protein 0.0063 0.0203 0.0118
Loa Loa (eye worm) steroid hormone receptor 0.0098 0.0493 0.0493
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0486 0.3734 0.5
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0062 0.0195 0.0492
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0063 0.0203 0.0512
Brugia malayi protein-tyrosine kinase 0.005 0.0099 0.0013
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0063 0.0203 0.0512
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0195 0.0492
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0195 0.0492
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.0493 0.1244
Echinococcus granulosus tyrosine protein kinase Blk 0.005 0.0099 0.0249
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0513 0.3965 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0098 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0239 0.1677 0.1677
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0047 0.0071 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0098 0.0493 0.0411
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0098 0.0493 0.0411
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.0486 0.3734 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0063 0.0203 0.031
Loa Loa (eye worm) hypothetical protein 0.0194 0.1297 0.1297
Echinococcus granulosus ecdysone induced protein 78C 0.0098 0.0493 0.1244
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0062 0.0195 0.0492
Schistosoma mansoni thyroid hormone receptor 0.0098 0.0493 0.1078
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0098 0.0493 0.0411
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0098 0.0493 0.1244
Echinococcus granulosus tyrosine protein kinase Src42A 0.0062 0.0195 0.0492
Brugia malayi SRC-1 0.0062 0.0195 0.011
Loa Loa (eye worm) hypothetical protein 0.0098 0.0493 0.0493
Schistosoma mansoni tyrosine kinase 0.0062 0.0195 0.0288
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.005 0.0099 0.0249
Brugia malayi photoreceptor-specific nuclear receptor 0.0098 0.0493 0.0411
Echinococcus granulosus geminin 0.0172 0.1111 0.2801
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0098 0.0493 0.0493
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0062 0.0195 0.0492
Brugia malayi steroid hormone receptor 0.0098 0.0493 0.0411
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0098 0.0493 0.0411
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0098 0.0493 0.1244
Echinococcus multilocularis ecdysone induced protein 78C 0.0098 0.0493 0.1244
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0098 0.0493 0.1078
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.1677 0.423
Schistosoma mansoni tyrosine kinase 0.0062 0.0195 0.0288
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0062 0.0195 0.0492
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0098 0.0493 0.0718

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.6 nM Inhibition of Abl kinase ChEMBL. 15027848
IC50 (binding) = 4.6 nM Inhibition of Abl kinase ChEMBL. 15027848
IC50 (binding) = 9 nM Inhibition of recombinant human Src kinase ChEMBL. 15027848
IC50 (binding) = 9 nM Inhibition of recombinant human Src kinase ChEMBL. 15027848
IC50 (functional) = 360 nM Inhibition of Src-transformed cell proliferation ChEMBL. 15027848

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.