Detailed information for compound 291293

Basic information

Technical information
  • TDR Targets ID: 291293
  • Name: N-(1H-indol-4-yl)-6-methoxy-7-(3-morpholin-4- ylpropoxy)quinazolin-4-amine
  • MW: 433.503 | Formula: C24H27N5O3
  • H donors: 2 H acceptors: 2 LogP: 3.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1cccc2c1cc[nH]2
  • InChi: 1S/C24H27N5O3/c1-30-22-14-18-21(15-23(22)32-11-3-8-29-9-12-31-13-10-29)26-16-27-24(18)28-20-5-2-4-19-17(20)6-7-25-19/h2,4-7,14-16,25H,3,8-13H2,1H3,(H,26,27,28)
  • InChiKey: YYPUMNHXDHFAKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1H-indol-4-yl)-6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-amine
  • N-(1H-indol-4-yl)-6-methoxy-7-(3-morpholinopropoxy)-4-quinazolinamine
  • 1H-indol-4-yl-[6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-yl]amine
  • Indole deriv. 14

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: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 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 Fgr 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 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 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 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 lyn tyrosine protein kinase blk 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
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
Echinococcus granulosus 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 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
Loa Loa (eye worm) SRC-1 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 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
Brugia malayi SRC-1 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 Srms 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 protein 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
Schistosoma japonicum ko:K08892 fyn-related kinase, putative 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
Schistosoma mansoni 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 tyrosine protein kinase Blk 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
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 multilocularis tyrosine protein kinase Fgr 0.0045 0.2136 0.2136
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.2136 0.2136
Brugia malayi SRC-1 0.0045 0.2136 0.5251
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0075 0.0075
Toxoplasma gondii tRNA synthetases class I family protein 0.0101 0.5406 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0078 0.4068 0.6476
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.1877 0.1877
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0078 0.4068 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0078 0.4068 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.2136 0.2136
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.1802 0.1802
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.2136 0.2136
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.1877 0.1877
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.1611 0.1611
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0078 0.4068 0.4068
Schistosoma mansoni tyrosine kinase 0.001 0.0075 0.0075
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0075 0.0075
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.1802 0.1802
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.1877 0.1877
Schistosoma mansoni tyrosine kinase 0.0045 0.2136 0.2136
Entamoeba histolytica hypothetical protein 0.0078 0.4068 0.6476
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0075 0.0184
Echinococcus granulosus c src tyrosine kinase 0.001 0.0075 0.0075
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0078 0.4068 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.2136 0.2136
Plasmodium vivax tyrosine--tRNA ligase, putative 0.0101 0.5406 1
Loa Loa (eye worm) SRC-1 0.0045 0.2136 0.5251
Plasmodium falciparum tyrosine--tRNA ligase 0.0101 0.5406 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.1877 0.1877
Giardia lamblia Tyrosyl-tRNA synthetase 0.0101 0.5406 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine kinase 0.0041 0.1877 0.1877
Schistosoma mansoni methionyl-tRNA synthetase 0.0078 0.4068 0.4068
Loa Loa (eye worm) TK protein kinase 0.0036 0.1611 0.3959
Echinococcus multilocularis tyrosyl tRNA synthetase 0.018 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.1877 0.1877
Schistosoma mansoni tyrosine kinase 0.0045 0.2136 0.2136
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0101 0.5406 1
Loa Loa (eye worm) TK protein kinase 0.0041 0.1877 0.4613
Entamoeba histolytica tyrosyl-tRNA synthetase, putative 0.0101 0.5406 1
Entamoeba histolytica hypothetical protein 0.0078 0.4068 0.6476
Trypanosoma cruzi tyrosyl-tRNA synthetase, putative 0.0101 0.5406 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2136 0.2136
Brugia malayi protein-tyrosine kinase 0.0041 0.1877 0.4613
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0078 0.4068 0.5
Brugia malayi methionyl-tRNA synthetase 0.0078 0.4068 1
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0078 0.4068 0.4068
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.2136 0.2136
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0075 0.0075
Schistosoma mansoni tyrosine kinase 0.001 0.0075 0.0075
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0078 0.4068 0.5
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0075 0.0075
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0101 0.5406 1
Treponema pallidum methionyl-tRNA synthetase 0.0078 0.4068 0.5
Leishmania major tyrosyl-tRNA synthetase, putative 0.0101 0.5406 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2136 0.2136
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.2136 0.2136
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.2136 0.2136
Schistosoma mansoni tyrosyl-tRNA synthetase 0.018 1 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.1611 0.1611
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0075 0.0075
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.2136 0.2136

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.177 uM In vitro inhibitory concentration of the compound against src-tyrosine kinase ChEMBL. 14761189
IC50 (binding) = 0.177 uM In vitro inhibitory concentration of the compound against src-tyrosine kinase ChEMBL. 14761189

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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