Detailed information for compound 342936

Basic information

Technical information
  • TDR Targets ID: 342936
  • Name: 4-(2,4-dichloroanilino)-7-methoxy-8-(2-morpho lin-4-ylethoxy)benzo[g]quinoline-3-carbonitri le
  • MW: 523.41 | Formula: C27H24Cl2N4O3
  • H donors: 1 H acceptors: 2 LogP: 5.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2cc3c(cc2cc1OCCN1CCOCC1)ncc(c3Nc1ccc(cc1Cl)Cl)C#N
  • InChi: 1S/C27H24Cl2N4O3/c1-34-25-12-17-10-21-24(11-18(17)13-26(25)36-9-6-33-4-7-35-8-5-33)31-16-19(15-30)27(21)32-23-3-2-20(28)14-22(23)29/h2-3,10-14,16H,4-9H2,1H3,(H,31,32)
  • InChiKey: BJHWPTOYYFZNQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2,4-dichloroanilino)-7-methoxy-8-(2-morpholinoethoxy)benzo[g]quinoline-3-carbonitrile
  • 4-(2,4-dichloroanilino)-7-methoxy-8-(2-morpholinoethoxy)-3-benzo[g]quinolinecarbonitrile
  • 4-[(2,4-dichlorophenyl)amino]-7-methoxy-8-(2-morpholin-4-ylethoxy)benzo[g]quinoline-3-carbonitrile
  • 4-[(2,4-dichlorophenyl)amino]-7-methoxy-8-(2-morpholinoethoxy)benzo[g]quinoline-3-carbonitrile
  • 4-[(2,4-dichlorophenyl)amino]-7-methoxy-8-(2-morpholinoethoxy)-3-benzo[g]quinolinecarbonitrile
  • 4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitrile 17k

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 HCK 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 mansoni tyrosine kinase 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
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 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
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, 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 Blk 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 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 kinase|tyrosine protein kinase Fyn 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 Src42A 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_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 Fyn 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 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
Loa Loa (eye worm) SRC-1 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
Brugia malayi protein-tyrosine 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 multilocularis 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 granulosus proto oncogene tyrosine protein kinase LCK 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 lyn 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
Schistosoma japonicum ko:K05703 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 multilocularis 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
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 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 enteropeptidase 0.1535 0.1719 0.2552
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Plasmodium vivax cysteine repeat modular protein 1, putative 0.5205 0.6734 0.5
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Loa Loa (eye worm) PAN domain-containing protein 0.0937 0.0901 0.0948
Toxoplasma gondii PAN domain-containing protein 0.0937 0.0901 0.1338
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Brugia malayi Trypsin family protein 0.1416 0.1555 0.1637
Onchocerca volvulus 0.1078 0.1094 0.1151
Trypanosoma cruzi hypothetical protein, conserved 0.5205 0.6734 0.5
Onchocerca volvulus 0.0937 0.0901 0.0948
Onchocerca volvulus 0.0937 0.0901 0.0948
Schistosoma mansoni egf-like domain protein 0.0692 0.0567 0.0567
Toxoplasma gondii microneme protein MIC17A 0.0937 0.0901 0.1338
Loa Loa (eye worm) hypothetical protein 0.0692 0.0567 0.0596
Brugia malayi hypothetical protein 0.1416 0.1555 0.1637
Brugia malayi SEA domain containing protein 0.1078 0.1094 0.1151
Toxoplasma gondii microneme protein MIC17C 0.0937 0.0901 0.1338
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0889 0.0835 0.0879
Leishmania major hypothetical protein, conserved 0.5205 0.6734 0.5
Loa Loa (eye worm) hypothetical protein 0.0364 0.0117 0.0124
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Loa Loa (eye worm) PAN domain-containing protein 0.0937 0.0901 0.0948
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Schistosoma mansoni hypothetical protein 0.1078 0.1094 0.1094
Toxoplasma gondii calcium binding egf domain-containing protein 0.0692 0.0567 0.0841
Echinococcus multilocularis glycoprotein Antigen 5 0.1535 0.1719 0.2552
Onchocerca volvulus Putative cubilin 0.0445 0.0229 0.0241
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0937 0.0901 0.1338
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Echinococcus multilocularis fibrillin 1 0.0692 0.0567 0.0841
Loa Loa (eye worm) PAN domain-containing protein 0.0937 0.0901 0.0948
Toxoplasma gondii microneme protein, putative 0.0937 0.0901 0.1338
Loa Loa (eye worm) PAN domain-containing protein 0.0937 0.0901 0.0948
Onchocerca volvulus 0.0937 0.0901 0.0948
Loa Loa (eye worm) hypothetical protein 0.1416 0.1555 0.1637
Schistosoma mansoni hypothetical protein 0.5205 0.6734 0.6734
Loa Loa (eye worm) PAN domain-containing protein 0.0937 0.0901 0.0948
Loa Loa (eye worm) hypothetical protein 0.0692 0.0567 0.0596
Loa Loa (eye worm) hypothetical protein 0.1416 0.1555 0.1637
Onchocerca volvulus 0.0937 0.0901 0.0948
Onchocerca volvulus 0.5205 0.6734 0.7086
Loa Loa (eye worm) TK/ROR protein kinase 0.5206 0.6736 0.7088
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Echinococcus granulosus transmembrane protease serine 3 0.1416 0.1555 0.231
Onchocerca volvulus 0.1356 0.1474 0.1551
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.1416 0.1555 0.231
Loa Loa (eye worm) hypothetical protein 0.1056 0.1064 0.1119
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1416 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.0445 0.0229 0.0241
Toxoplasma gondii PAN domain-containing protein 0.0937 0.0901 0.1338
Echinococcus granulosus Tolloid protein 1 0.086 0.0795 0.1181
Brugia malayi Calcium binding EGF domain containing protein 0.0692 0.0567 0.0596
Loa Loa (eye worm) hypothetical protein 0.1356 0.1474 0.1551
Loa Loa (eye worm) hypothetical protein 0.1416 0.1555 0.1637
Toxoplasma gondii PAN domain-containing protein 0.0937 0.0901 0.1338
Onchocerca volvulus 0.1078 0.1094 0.1151
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0692 0.0567 0.0596
Onchocerca volvulus 0.0937 0.0901 0.0948
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Onchocerca volvulus 0.0937 0.0901 0.0948
Toxoplasma gondii calcium binding egf domain-containing protein 0.0692 0.0567 0.0841
Toxoplasma gondii microneme protein MIC4 0.0937 0.0901 0.1338
Loa Loa (eye worm) hypothetical protein 0.1078 0.1094 0.1151
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1416 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.086 0.0795 0.0795
Brugia malayi Muscle positioning protein 4 0.1356 0.1474 0.1551
Brugia malayi Trypsin family protein 0.1416 0.1555 0.1637
Brugia malayi Fibulin-1 precursor 0.0692 0.0567 0.0596
Toxoplasma gondii microneme protein MIC17B 0.0937 0.0901 0.1338
Toxoplasma gondii PAN domain-containing protein 0.1511 0.1686 0.2504
Loa Loa (eye worm) hypothetical protein 0.086 0.0795 0.0837
Toxoplasma gondii kringle domain-containing protein 0.5205 0.6734 1
Toxoplasma gondii hypothetical protein 0.0937 0.0901 0.1338
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.0889 0.0835 0.0879
Loa Loa (eye worm) DOMON domain-containing protein 0.1078 0.1094 0.1151
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Toxoplasma gondii PAN domain-containing protein 0.0937 0.0901 0.1338
Echinococcus multilocularis transmembrane protease serine 3 0.1416 0.1555 0.231
Toxoplasma gondii subtilisin SUB12 0.0937 0.0901 0.1338
Toxoplasma gondii PAN/Apple domain-containing protein 0.0937 0.0901 0.1338
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Onchocerca volvulus 0.0937 0.0901 0.0948
Onchocerca volvulus 0.1078 0.1094 0.1151
Loa Loa (eye worm) hypothetical protein 0.1416 0.1555 0.1637
Schistosoma mansoni hypothetical protein 0.1416 0.1555 0.1555
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1535 0.1719 0.1719
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.1416 0.1555 0.231
Brugia malayi Calcium binding EGF domain containing protein 0.0445 0.0229 0.0241
Loa Loa (eye worm) hypothetical protein 0.5205 0.6734 0.7086
Mycobacterium ulcerans hypothetical protein 0.1416 0.1555 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.1416 0.1555 0.1637
Echinococcus multilocularis enteropeptidase 0.1535 0.1719 0.2552
Echinococcus granulosus Mastin 0.1535 0.1719 0.2552
Loa Loa (eye worm) trypsin family protein 0.1416 0.1555 0.1637
Echinococcus multilocularis laminin 0.0692 0.0567 0.0841
Onchocerca volvulus 0.1416 0.1555 0.1637
Loa Loa (eye worm) hypothetical protein 0.723 0.9503 1
Giardia lamblia High cysteine protein 0.0278 0 0.5
Echinococcus granulosus laminin 0.0692 0.0567 0.0841
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Loa Loa (eye worm) bone morphogenetic protein 1b 0.086 0.0795 0.0837
Onchocerca volvulus 0.5815 0.7568 0.7964
Brugia malayi Trypsin-like protease protein 5 0.1416 0.1555 0.1637
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.1416 0.1555 0.1637
Onchocerca volvulus 0.1416 0.1555 0.1637
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.1416 0.1555 0.231
Onchocerca volvulus 0.0937 0.0901 0.0948
Schistosoma mansoni hypothetical protein 0.1416 0.1555 0.1555
Echinococcus granulosus glycoprotein Antigen 5 0.1535 0.1719 0.2552
Toxoplasma gondii hypothetical protein 0.0937 0.0901 0.1338
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0889 0.0835 0.0879
Onchocerca volvulus 0.1078 0.1094 0.1151
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.1416 0.1555 0.1555
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1583 0.1784 0.1784
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Plasmodium falciparum cysteine repeat modular protein 1 0.5205 0.6734 0.5
Echinococcus multilocularis Tolloid protein 1 0.086 0.0795 0.1181
Echinococcus multilocularis tissue type plasminogen activator 0.5205 0.6734 1
Toxoplasma gondii PAN domain-containing protein 0.1511 0.1686 0.2504
Brugia malayi Trypsin family protein 0.1416 0.1555 0.1637
Loa Loa (eye worm) hypothetical protein 0.0937 0.0901 0.0948
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.1416 0.1555 0.231
Loa Loa (eye worm) hypothetical protein 0.723 0.9503 1
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Onchocerca volvulus 0.0937 0.0901 0.0948
Echinococcus multilocularis Mastin 0.1535 0.1719 0.2552
Onchocerca volvulus 0.0937 0.0901 0.0948
Schistosoma mansoni cercarial elastase (S01 family) 0.1416 0.1555 0.1555
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.723 0.9503 0.9503
Onchocerca volvulus 0.1416 0.1555 0.1637
Onchocerca volvulus 0.1416 0.1555 0.1637
Onchocerca volvulus 0.0937 0.0901 0.0948
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1416 0.1555 0.1555
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Brugia malayi CUB domain containing protein 0.0364 0.0117 0.0124
Onchocerca volvulus 0.723 0.9503 1
Brugia malayi Protein kinase domain containing protein 0.5206 0.6736 0.7088
Onchocerca volvulus 0.1416 0.1555 0.1637
Brugia malayi Trypsin family protein 0.723 0.9503 1
Brugia malayi Kringle domain containing protein 0.5205 0.6734 0.7086
Onchocerca volvulus Arrow homolog 0.0889 0.0835 0.0879
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948
Echinococcus granulosus tissue type plasminogen activator 0.5205 0.6734 1
Brugia malayi PAN domain containing protein 0.0937 0.0901 0.0948

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM Inhibitory concentration against Src kinase ChEMBL. 16161995
IC50 (binding) = 2 nM Inhibitory concentration against Src kinase ChEMBL. 16161995
IC50 (functional) = 48 nM Inhibitory concentration against Src-transformed fibroblast proliferation ChEMBL. 16161995
IC50 (functional) = 48 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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