TDR Targets

Basic information

Technical information

TDR Targets ID: 940605
Name: 6,7-diethoxy-N-(4-fluorophenyl)quinazolin-4-a mine hydrochloride
MW: 363.814 | Formula: C18H19ClFN3O2
H donors: 1 H acceptors: 2 LogP: 4.99 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc2c(ncnc2cc1OCC)Nc1ccc(cc1)F.Cl
InChi: 1S/C18H18FN3O2.ClH/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-12(19)6-8-13;/h5-11H,3-4H2,1-2H3,(H,20,21,22);1H
InChiKey: SZJGPFJURVKYBW-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

6,7-diethoxy-N-(4-fluorophenyl)-4-quinazolinamine hydrochloride
(6,7-diethoxyquinazolin-4-yl)-(4-fluorophenyl)amine hydrochloride

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	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	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
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	IPR000494,EGF receptor, L domain,domain-containing	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 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
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	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 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 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
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
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 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
Brugia malayi	Furin-like cysteine rich region family protein	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	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	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 multilocularis		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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	protein kinase c epsilon type	0.0341	0.9088	0.9088
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0075	0.0677	0.0677
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0677	0.0677
Loa Loa (eye worm)	hypothetical protein	0.023	0.5586	0.6133
Schistosoma mansoni	serine/threonine protein kinase	0.0341	0.9088	0.9088
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0677	0.0677
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Schistosoma mansoni	tyrosine kinase	0.018	0.4	0.4
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0064	0.0316	0.0316
Schistosoma mansoni	tyrosine kinase	0.0097	0.1358	0.1358
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Echinococcus granulosus	NDR protein kinase	0.0075	0.0677	0.0677
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0075	0.0677	0.0711
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Toxoplasma gondii	AGC kinase	0.0075	0.0677	0.5
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0075	0.0677	0.0677
Brugia malayi	p70 ribosomal S6 kinase beta	0.0075	0.0677	0.0711
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0075	0.0677	0.0677
Brugia malayi	Protein kinase c protein 2	0.0296	0.7678	0.8443
Schistosoma mansoni	tyrosine kinase	0.0096	0.1325	0.1325
Echinococcus multilocularis		0.0056	0.0057	0.0057
Schistosoma mansoni	tyrosine kinase	0.0097	0.1358	0.1358
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.0033	0.0033
Echinococcus granulosus	RNA directed DNA polymerase	0.023	0.5586	0.5586
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0677	0.0711
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0075	0.0677	0.0677
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0075	0.0677	0.0711
Echinococcus multilocularis	serine threonine protein kinase	0.0316	0.8322	0.8322
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0677	0.0711
Echinococcus granulosus	unc 13 munc13	0.0064	0.0316	0.0316
Echinococcus granulosus	protein kinase c iota type	0.0128	0.2355	0.2355
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0058	0.0115	0.0115
Echinococcus multilocularis	protein kinase c epsilon type	0.0341	0.9088	0.9088
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0075	0.0677	0.0711
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0316	0.0312
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0677	0.0677
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0055	0.0033	0.0033
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0075	0.0677	0.0677
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0075	0.0677	0.0677
Schistosoma mansoni	protein kinase C	0.0064	0.0316	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0677	0.0711
Brugia malayi	Furin-like cysteine rich region family protein	0.018	0.4	0.4381
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0277	0.7062	0.7062
Schistosoma mansoni	unc-13 (munc13)	0.0064	0.0316	0.0316
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0677	0.0677
Schistosoma mansoni	tyrosine kinase	0.0096	0.1325	0.1325
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0075	0.0677	0.0711
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0243	0.6001	0.659
Echinococcus multilocularis	epidermal growth factor receptor	0.0097	0.1358	0.1358
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.0033	0.0033
Schistosoma mansoni	serine/threonine protein kinase	0.0369	1	1
Schistosoma mansoni	protein kinase C mu	0.0055	0.0033	0.0033
Brugia malayi	protein kinase C II.	0.0341	0.9088	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0075	0.0677	0.0677
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0369	1	1
Brugia malayi	Protein kinase domain containing protein	0.0058	0.0115	0.009
Loa Loa (eye worm)	TK/INSR protein kinase	0.0058	0.0115	0.009
Onchocerca volvulus		0.0064	0.0316	0.5
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0075	0.0677	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0075	0.0677	0.0677
Echinococcus multilocularis	insulin receptor	0.0058	0.0115	0.0115
Schistosoma mansoni	tyrosine kinase	0.0058	0.0115	0.0115
Echinococcus granulosus	protein kinase C gamma type	0.0316	0.8322	0.8322
Echinococcus multilocularis	RNA directed DNA polymerase	0.023	0.5586	0.5586
Echinococcus granulosus	serine:threonine protein kinase N2	0.0203	0.474	0.474
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0058	0.0115	0.0115
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0075	0.0677	0.0711
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0677	0.0711
Schistosoma mansoni	unc-13 (munc13)	0.0064	0.0316	0.0316
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0075	0.0677	0.0711
Echinococcus multilocularis	unc 13 (munc13)	0.0064	0.0316	0.0316
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0203	0.474	1
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0097	0.1358	0.1358
Loa Loa (eye worm)	TK/EGFR protein kinase	0.018	0.4	0.4381
Schistosoma mansoni	tyrosine kinase	0.0096	0.1325	0.1325
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.023	0.5586	0.5586
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.7264	0.7986
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0064	0.0316	0.0316
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0677	1
Schistosoma mansoni	tyrosine kinase	0.0058	0.0115	0.0115
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0341	0.9088	1
Echinococcus granulosus	epidermal growth factor receptor	0.018	0.4	0.4
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0075	0.0677	0.0711
Echinococcus granulosus	insulin receptor	0.0058	0.0115	0.0115
Echinococcus multilocularis	protein kinase c iota type	0.0128	0.2355	0.2355
Echinococcus granulosus	serine:threonine protein kinase N2	0.0075	0.0677	0.0677
Schistosoma mansoni	serine/threonine protein kinase	0.0369	1	1
Brugia malayi	Hr1 repeat family protein	0.0075	0.0677	0.0711
Echinococcus granulosus	epidermal growth factor receptor	0.0097	0.1358	0.1358
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0055	0.0033	0.0033
Schistosoma mansoni	serine/threonine kinase	0.0075	0.0677	0.0677
Echinococcus multilocularis	epidermal growth factor receptor	0.018	0.4	0.4
Schistosoma mansoni	atypical protein kinase C	0.0128	0.2355	0.2355

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16 nM	Displacement of [125I]-4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes	ChEMBL.	16279804
IC50 (functional)	= 23.1 nM	Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells	ChEMBL.	16279804
IC50 (functional)	= 622 nM	Inhibition of DNA synthesis in EGF-dependent human MCF10A cells assessed as [3H]thymidine incorporation	ChEMBL.	16279804
IC50 (functional)	= 7487 nM	Inhibition of DNA synthesis in EGF-independent human MCF7 cells assessed as 3H]thymidine incorporation	ChEMBL.	16279804
Ratio IC50 (functional)	= 12	Ratio of IC50 for human MCF7 cells to IC50 for human MCF10A cells	ChEMBL.	16279804

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	16279804

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

ChEMBL: CHEMBL1203940

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.

Detailed information for compound 940605