Detailed information for compound 1774832

Basic information

Technical information
  • TDR Targets ID: 1774832
  • Name: 2-[4-[4-[(3-chloro-2,4-difluorophenyl)amino]- 7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N -methylacetamide
  • MW: 491.918 | Formula: C23H24ClF2N5O3
  • H donors: 2 H acceptors: 3 LogP: 4.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1F)Cl)F
  • InChi: 1S/C23H24ClF2N5O3/c1-27-20(32)11-31-7-5-13(6-8-31)34-19-9-14-17(10-18(19)33-2)28-12-29-23(14)30-16-4-3-15(25)21(24)22(16)26/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,27,32)(H,28,29,30)
  • InChiKey: DFDNMLBIWKPQJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[4-[(3-chloro-2,4-difluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-N-methyl-acetamide
  • 2-[4-[[4-[(3-chloro-2,4-difluorophenyl)amino]-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-N-methylacetamide
  • 2-[4-[4-[(3-chloro-2,4-difluoro-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-N-methyl-ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens erb-b2 receptor tyrosine kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
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
Trichomonas vaginalis conserved hypothetical protein 0.0105 0.0376 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0376 0.0376
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0447 0.3062 1
Echinococcus granulosus prolyl endopeptidase 0.0105 0.0376 0.0376
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0105 0.0376 0.0376
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0105 0.0376 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1329 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0447 0.3062 0.3062
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.0964 0.0964
Loa Loa (eye worm) hypothetical protein 0.0105 0.0376 0.0376
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.0308 0.0308
Loa Loa (eye worm) prolyl oligopeptidase 0.1329 1 1
Schistosoma mansoni tyrosine kinase 0.0097 0.0308 0.0308
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0447 0.3062 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0105 0.0376 0.0376
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0105 0.0376 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0105 0.0376 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0105 0.0376 0.0376
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1329 1 1
Plasmodium falciparum peptidase, putative 0.0105 0.0376 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0105 0.0376 0.5
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0105 0.0376 0.0376
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0447 0.3062 1
Brugia malayi prolyl oligopeptidase family protein 0.0105 0.0376 0.0376
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0447 0.3062 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.0308 0.0308
Echinococcus granulosus Dipeptidyl peptidase 9 0.0447 0.3062 0.3062
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.0964 0.0964
Schistosoma mansoni tyrosine kinase 0.0096 0.03 0.03
Entamoeba histolytica prolyl oligopeptidase family protein 0.0105 0.0376 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0376 0.0376
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0105 0.0376 0.5
Echinococcus granulosus acylamino acid releasing enzyme 0.0105 0.0376 0.0376
Loa Loa (eye worm) prolyl oligopeptidase 0.0105 0.0376 0.0376
Echinococcus multilocularis prolyl endopeptidase 0.0105 0.0376 0.0376
Schistosoma mansoni tyrosine kinase 0.0096 0.03 0.03
Plasmodium vivax hypothetical protein, conserved 0.0105 0.0376 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0105 0.0376 0.5
Schistosoma mansoni tyrosine kinase 0.018 0.0964 0.0964
Schistosoma mansoni tyrosine kinase 0.0096 0.03 0.03
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0447 0.3062 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0105 0.0376 0.5
Loa Loa (eye worm) hypothetical protein 0.0341 0.2233 0.2233
Schistosoma mansoni tyrosine kinase 0.0097 0.0308 0.0308
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0105 0.0376 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0105 0.0376 0.0376
Brugia malayi hypothetical protein 0.0341 0.2233 0.2233
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1329 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0105 0.0376 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0105 0.0376 0.5
Mycobacterium tuberculosis Probable peptidase 0.0105 0.0376 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0105 0.0376 0.0376
Entamoeba histolytica prolyl oligopeptidase family protein 0.0105 0.0376 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0447 0.3062 0.3062
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0105 0.0376 0.0376
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0447 0.3062 1
Echinococcus granulosus epidermal growth factor receptor 0.018 0.0964 0.0964
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.0308 0.0308
Entamoeba histolytica prolyl oligopeptidase family protein 0.0105 0.0376 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1329 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.0964 0.0964
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0447 0.3062 0.3062

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.089 uM Inhibition of full-length HER2 phosphorylation transfected in in human MCF-7 cl.24 cells after 4 hrs by laser scanning fluorescence microplate cytometry ChEMBL. 24900741

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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