TDR Targets

Basic information

Technical information

TDR Targets ID: 973741
Name: 4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxyquinaz oline
MW: 384.227 | Formula: C18H14BrN3O2
H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)ncnc2c1c[nH]c2c1cc(Br)cc2
InChi: 1S/C18H14BrN3O2/c1-23-16-6-12-15(7-17(16)24-2)21-9-22-18(12)13-8-20-14-4-3-10(19)5-11(13)14/h3-9,20H,1-2H3
InChiKey: MWBJNWJINFGNLQ-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

4-(5-bromo-1H-indol-3-yl)-6,7-dimethoxy-quinazoline

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
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	Tyrosine-protein kinase transforming protein erbB, 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	expressed protein	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
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 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	Receptor tyrosine-protein kinase erbB-4 precursor, putative	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
Echinococcus granulosus	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
Schistosoma japonicum	hypothetical 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 granulosus	melanoma receptor tyrosine 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
Brugia malayi	Furin-like cysteine rich region family 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	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 japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, 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

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
Schistosoma mansoni	tyrosine kinase	0.0097	0.0015	0.002
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.02	0.1484	0.1471
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Echinococcus granulosus	Mastin	0.02	0.1484	0.2064
Brugia malayi	Carboxylesterase family protein	0.0292	0.2811	0.3247
Echinococcus multilocularis	tissue type plasminogen activator	0.0595	0.7132	0.7127
Brugia malayi	Protein kinase domain containing protein	0.0596	0.7146	1
Loa Loa (eye worm)	hypothetical protein	0.0595	0.7132	0.9977
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.02	0.1484	0.2064
Loa Loa (eye worm)	trypsin family protein	0.02	0.1484	0.118
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Echinococcus granulosus	glycoprotein Antigen 5	0.02	0.1484	0.2064
Brugia malayi	Carboxylesterase family protein	0.0292	0.2811	0.3247
Schistosoma mansoni	hypothetical protein	0.0595	0.7132	1
Schistosoma mansoni	hypothetical protein	0.02	0.1484	0.2081
Echinococcus granulosus	acetylcholinesterase	0.0292	0.2811	0.3929
Brugia malayi	Trypsin family protein	0.02	0.1484	0.118
Echinococcus granulosus	enteropeptidase	0.02	0.1484	0.2064
Brugia malayi	Trypsin family protein	0.02	0.1484	0.118
Schistosoma mansoni	tyrosine kinase	0.018	0.1205	0.169
Echinococcus granulosus	carboxylesterase 5A	0.0292	0.2811	0.3929
Schistosoma mansoni	tyrosine kinase	0.0097	0.0015	0.002
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Leishmania major	hypothetical protein, conserved	0.0595	0.7132	0.5
Brugia malayi	Furin-like cysteine rich region family protein	0.018	0.1205	0.0746
Brugia malayi	Trypsin family protein	0.02	0.1484	0.118
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Echinococcus granulosus	transmembrane protease serine 3	0.02	0.1484	0.2064
Brugia malayi	Trypsin family protein	0.02	0.1484	0.118
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0292	0.2811	0.3942
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0595	0.7132	0.5
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.02	0.1484	0.118
Echinococcus multilocularis	carboxylesterase 5A	0.0292	0.2811	0.28
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.1471
Echinococcus granulosus	tissue type plasminogen activator	0.0595	0.7132	1
Echinococcus multilocularis	Mastin	0.02	0.1484	0.1471
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Echinococcus multilocularis	acetylcholinesterase	0.0292	0.2811	0.28
Onchocerca volvulus		0.0595	0.7132	1
Loa Loa (eye worm)	carboxylesterase	0.0292	0.2811	0.3247
Brugia malayi	Kringle domain containing protein	0.0595	0.7132	0.9977
Echinococcus granulosus	acetylcholinesterase	0.0292	0.2811	0.3929
Echinococcus multilocularis	transmembrane protease serine 3	0.02	0.1484	0.1471
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Plasmodium falciparum	cysteine repeat modular protein 1	0.0595	0.7132	0.5
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.02	0.1484	0.2064
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.02	0.1484	0.2081
Echinococcus granulosus	tumor protein p63	0.0332	0.3369	0.4713
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Loa Loa (eye worm)	acetylcholinesterase 1	0.0292	0.2811	0.3247
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Echinococcus multilocularis	muscleblind protein 1	0.0147	0.0726	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2811	0.3247
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Loa Loa (eye worm)	hypothetical protein	0.0292	0.2811	0.3247
Echinococcus multilocularis	muscleblind protein	0.0147	0.0726	0.0713
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Echinococcus granulosus	epidermal growth factor receptor	0.018	0.1205	0.1673
Mycobacterium ulcerans	hypothetical protein	0.02	0.1484	0.5
Brugia malayi	hypothetical protein	0.02	0.1484	0.118
Echinococcus multilocularis	tumor protein p63	0.0332	0.3369	0.3359
Loa Loa (eye worm)	TK/EGFR protein kinase	0.018	0.1205	0.0746
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Echinococcus multilocularis	epidermal growth factor receptor	0.018	0.1205	0.1192
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Loa Loa (eye worm)	TK/ROR protein kinase	0.0596	0.7146	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.02	0.1484	0.2081
Toxoplasma gondii	kringle domain-containing protein	0.0595	0.7132	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Schistosoma mansoni	hypothetical protein	0.02	0.1484	0.2081
Echinococcus granulosus	muscleblind protein	0.0147	0.0726	0.1
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Echinococcus multilocularis	acetylcholinesterase	0.0292	0.2811	0.28
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Schistosoma mansoni	cercarial elastase (S01 family)	0.02	0.1484	0.2081
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Loa Loa (eye worm)	hypothetical protein	0.02	0.1484	0.118
Echinococcus multilocularis	glycoprotein Antigen 5	0.02	0.1484	0.1471
Trypanosoma cruzi	hypothetical protein, conserved	0.0595	0.7132	0.5
Brugia malayi	Trypsin-like protease protein 5	0.02	0.1484	0.118
Echinococcus multilocularis	enteropeptidase	0.02	0.1484	0.1471

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 131 nM	Inhibition of human EGFR tyrosine kinase activity	ChEMBL.	17981366

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

ChEMBL: CHEMBL473320

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 973741