Detailed information for compound 1736149

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.854 | Formula: C19H21ClFN5O2
  • H donors: 3 H acceptors: 2 LogP: 2.72 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCNCCOc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Cl)F
  • InChi: 1S/C19H21ClFN5O2/c1-27-17-10-16-13(9-18(17)28-7-6-23-5-4-22)19(25-11-24-16)26-12-2-3-15(21)14(20)8-12/h2-3,8-11,23H,4-7,22H2,1H3,(H,24,25,26)
  • InChiKey: YCDMAWQWOBHPSZ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR000494,EGF receptor, L domain,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 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 japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis 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
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein 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 japonicum Epidermal growth factor receptor precursor, putative 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 Epidermal growth factor receptor precursor, putative 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
Echinococcus granulosus epidermal growth factor receptor 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
Loa Loa (eye worm) TK/EGFR protein 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
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
Echinococcus multilocularis 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
Schistosoma mansoni tyrosine 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 hypothetical protein 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
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.1224 1 1
Schistosoma mansoni tyrosine kinase 0.0096 0.0342 0.0327
Echinococcus multilocularis chromatin regulatory protein sir2 0.1224 1 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0181 0.1069 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.0342 0.0327
Plasmodium vivax hypothetical protein, conserved 0.0181 0.1069 0.5
Loa Loa (eye worm) sirtuin 4 0.0181 0.1069 0.1055
Schistosoma mansoni tyrosine kinase 0.0097 0.0351 0.0336
Leishmania major silent information regulator 2, putative 0.1224 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0181 0.1069 0.1055
Brugia malayi NAD-dependent deacetylase SIRT1 0.0181 0.1069 0.1055
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.0015 0.0015
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.1224 1 1
Schistosoma mansoni tyrosine kinase 0.0096 0.0342 0.0327
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0181 0.1069 0.5
Trypanosoma brucei Silent information regulator 2 related protein 1 0.1224 1 1
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0181 0.1069 0.5
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.1224 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0181 0.1069 0.1055
Mycobacterium ulcerans NAD-dependent deacetylase 0.0181 0.1069 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.0351 0.0336
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0181 0.1069 0.1069
Toxoplasma gondii histone deacetylase SIR2 0.0181 0.1069 0.5
Loa Loa (eye worm) transcriptional regulator 0.1224 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0181 0.1069 0.1055
Loa Loa (eye worm) hypothetical protein 0.0181 0.1069 0.1055
Schistosoma mansoni chromatin regulatory protein sir2 0.0181 0.1069 0.1055
Mycobacterium ulcerans Sir2-like regulatory protein 0.0181 0.1069 0.5
Schistosoma mansoni chromatin regulatory protein sir2 0.1224 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.1224 1 1
Echinococcus granulosus chromatin regulatory protein sir2 0.1224 1 1
Giardia lamblia Hypothetical protein 0.1224 1 1
Schistosoma mansoni tyrosine kinase 0.0097 0.0351 0.0336
Schistosoma mansoni chromatin regulatory protein sir2 0.0181 0.1069 0.1055
Brugia malayi transcriptional regulator, Sir2 family protein 0.0181 0.1069 0.1055
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.1064 0.105
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.1224 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.0351 0.0351
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0181 0.1069 0.1069
Schistosoma mansoni chromatin regulatory protein sir2 0.1224 1 1
Echinococcus granulosus epidermal growth factor receptor 0.018 0.1064 0.105
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.1064 0.105
Toxoplasma gondii histone deacetylase SIR2-like 0.0181 0.1069 0.5
Loa Loa (eye worm) transcriptional regulator 0.0181 0.1069 0.1055
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.1064 0.1064
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.1224 1 1
Loa Loa (eye worm) transcriptional regulator 0.0181 0.1069 0.1055
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.0351 0.0336
Schistosoma mansoni tyrosine kinase 0.018 0.1064 0.105
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0181 0.1069 0.1055
Brugia malayi transcriptional regulator, Sir2 family protein 0.0181 0.1069 0.1055
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.1224 1 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0181 0.1069 0.1055
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0181 0.1069 0.1069
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.1224 1 1
Echinococcus multilocularis insulin receptor 0.0058 0.0015 0.0015
Schistosoma mansoni chromatin regulatory protein sir2 0.1224 1 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0181 0.1069 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12.1 nM Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate incubated for 5 mins prior to substrate addition measured after 1 hr by ELISA ChEMBL. 22867529
Inhibition (binding) = 100 % Inhibition of EGFR (unknown origin) using biotinylated-PTP1B (Tyr66) as substrate at 10 uM incubated for 5 mins prior to substrate addition measured after 1 hr by ELISA relative to N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine ChEMBL. 22867529

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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