TDR Targets

Basic information

Technical information

TDR Targets ID: 182908
Name: 6,7-dimethoxy-4-(4-methylanilino)quinoline-3- carbonitrile
MW: 319.357 | Formula: C19H17N3O2
H donors: 1 H acceptors: 2 LogP: 4.31 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cnc2c(c1Nc1ccc(cc1)C)cc(c(c2)OC)OC
InChi: 1S/C19H17N3O2/c1-12-4-6-14(7-5-12)22-19-13(10-20)11-21-16-9-18(24-3)17(23-2)8-15(16)19/h4-9,11H,1-3H3,(H,21,22)
InChiKey: JXLUYPNXIHHINO-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-dimethoxy-4-(4-methylanilino)-3-quinolinecarbonitrile
6,7-dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
6,7-dimethoxy-4-(p-toluidino)quinoline-3-carbonitrile
6,7-dimethoxy-4-[(4-methylphenyl)amino]-3-quinolinecarbonitrile
6,7-dialkoxyquinoline-3-carbonitrile deriv. 22

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	epidermal growth factor receptor		References
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
Schistosoma mansoni	tyrosine kinase	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
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
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	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
Schistosoma japonicum	hypothetical protein	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 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 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
Echinococcus granulosus	epidermal growth factor receptor	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
Loa Loa (eye worm)	TK/EGFR 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
Schistosoma japonicum	expressed 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	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
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

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
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Schistosoma mansoni	tyrosine kinase	0.0191	0.3673	0.3673
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Loa Loa (eye worm)	tubulin beta-2A chain	0.0352	0.9689	0.9689
Brugia malayi	Tubulin beta-1 chain	0.0352	0.9689	0.9689
Trichomonas vaginalis	tubulin gamma chain, putative	0.0352	0.9689	0.5
Loa Loa (eye worm)	tubulin beta-4 chain	0.0352	0.9689	0.9689
Echinococcus multilocularis	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Echinococcus granulosus	tubulin beta 1 chain	0.0352	0.9689	0.9689
Trypanosoma brucei	beta tubulin	0.0352	0.9689	0.5
Schistosoma mansoni	tubulin subunit beta	0.0352	0.9689	0.9689
Onchocerca volvulus		0.0094	0	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.036	1	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0094	0	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0352	0.9689	0.5
Trichomonas vaginalis	tubulin, putative	0.0352	0.9689	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0352	0.9689	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0094	0	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Trypanosoma brucei	beta tubulin	0.0352	0.9689	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Echinococcus multilocularis		0.0111	0.0673	0.0673
Loa Loa (eye worm)	BEN-1 protein	0.0352	0.9689	0.9689
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Echinococcus granulosus	beta tubulin	0.0352	0.9689	0.9689
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Onchocerca volvulus		0.0094	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0191	0.3673	0.3673
Entamoeba histolytica	tubulin family protein	0.0352	0.9689	0.5
Trypanosoma brucei	beta tubulin	0.0352	0.9689	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0352	0.9689	0.9689
Echinococcus multilocularis	epidermal growth factor receptor	0.0194	0.375	0.375
Onchocerca volvulus		0.0094	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Schistosoma mansoni	tyrosine kinase	0.0115	0.0808	0.0808
Echinococcus granulosus	insulin receptor	0.0115	0.0808	0.0808
Echinococcus multilocularis	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Schistosoma mansoni	tubulin subunit beta	0.0352	0.9689	0.9689
Onchocerca volvulus		0.0094	0	0.5
Onchocerca volvulus		0.0094	0	0.5
Onchocerca volvulus		0.0094	0	0.5
Toxoplasma gondii	beta-1 tubulin, putative	0.0352	0.9689	0.5
Schistosoma mansoni	tubulin subunit beta	0.0352	0.9689	0.9689
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0352	0.9689	0.9689
Onchocerca volvulus		0.0094	0	0.5
Toxoplasma gondii	beta tubulin	0.0352	0.9689	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Brugia malayi	beta-tubulin, identical	0.0352	0.9689	0.9689
Loa Loa (eye worm)	tubulin beta-1 chain	0.0352	0.9689	0.9689
Echinococcus multilocularis	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Echinococcus granulosus	epidermal growth factor receptor	0.0194	0.375	0.375
Onchocerca volvulus		0.0094	0	0.5
Loa Loa (eye worm)	beta-tubulin	0.0352	0.9689	0.9689
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0352	0.9689	0.5
Echinococcus multilocularis	insulin receptor	0.0115	0.0808	0.0808
Echinococcus multilocularis	epidermal growth factor receptor	0.036	1	1
Onchocerca volvulus		0.0094	0	0.5
Toxoplasma gondii	beta-tubulin, putative	0.0352	0.9689	0.5
Echinococcus multilocularis	tubulin beta 1 chain	0.0352	0.9689	0.9689
Schistosoma mansoni	tubulin subunit beta	0.0352	0.9689	0.9689
Trypanosoma brucei	beta tubulin	0.0352	0.9689	0.5
Schistosoma mansoni	tyrosine kinase	0.0191	0.3673	0.3673
Echinococcus multilocularis	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0352	0.9689	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Onchocerca volvulus		0.0094	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0115	0.0808	0.0808
Trichomonas vaginalis	tubulin beta chain, putative	0.0352	0.9689	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Plasmodium falciparum	tubulin beta chain	0.0352	0.9689	0.5
Schistosoma mansoni	tyrosine kinase	0.0115	0.0808	0.0808
Onchocerca volvulus		0.0094	0	0.5
Echinococcus granulosus	tubulin beta 4A class IVa	0.0352	0.9689	0.9689
Echinococcus multilocularis	beta tubulin	0.0352	0.9689	0.9689
Echinococcus granulosus	beta tubulin	0.0352	0.9689	0.9689
Onchocerca volvulus		0.0094	0	0.5
Giardia lamblia	Beta tubulin	0.0352	0.9689	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Onchocerca volvulus		0.0094	0	0.5
Schistosoma mansoni	tubulin subunit beta	0.0352	0.9689	0.9689
Schistosoma mansoni	tyrosine kinase	0.036	1	1
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Giardia lamblia	Beta tubulin	0.0352	0.9689	0.5
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.036	1	1
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Schistosoma mansoni	tubulin subunit beta	0.0352	0.9689	0.9689
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Schistosoma mansoni	tyrosine kinase	0.0194	0.375	0.375
Echinococcus multilocularis	tubulin subunit beta	0.0352	0.9689	0.9689
Onchocerca volvulus		0.0094	0	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0115	0.0808	0.0808
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Onchocerca volvulus		0.0094	0	0.5
Echinococcus granulosus	tubulin subunit beta	0.0352	0.9689	0.9689
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Entamoeba histolytica	tubulin family protein	0.0352	0.9689	0.5
Onchocerca volvulus		0.0094	0	0.5
Echinococcus multilocularis	beta tubulin	0.0352	0.9689	0.9689
Onchocerca volvulus		0.0094	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Schistosoma mansoni	tyrosine kinase	0.0194	0.375	0.375
Loa Loa (eye worm)	TK/INSR protein kinase	0.0115	0.0808	0.0808
Giardia lamblia	Beta tubulin	0.0352	0.9689	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0194	0.375	0.375
Leishmania major	beta tubulin	0.0352	0.9689	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0352	0.9689	0.9689
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0115	0.0808	0.0808
Plasmodium vivax	tubulin beta chain, putative	0.0352	0.9689	0.5
Loa Loa (eye worm)	tubulin beta chain	0.0352	0.9689	0.9689

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.56	Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISA	ChEMBL.	17689836
IC50 (functional)	= 0.64 uM	Concentration needed to inhibit 50% growth of human SKBr3 (breast carcinoma) cell lines	ChEMBL.	10966743
IC50 (functional)	= 0.64 uM	Concentration needed to inhibit 50% growth of human SKBr3 (breast carcinoma) cell lines	ChEMBL.	10966743
IC50 (functional)	= 0.96 uM	Concentration needed to inhibit 50% growth of the human A431 (epidermoid carcinoma) cell lines	ChEMBL.	10966743
IC50 (functional)	= 0.96 uM	Concentration needed to inhibit 50% growth of the human A431 (epidermoid carcinoma) cell lines	ChEMBL.	10966743
IC50 (binding)	= 2.73 uM	Concentration needed to inhibit the autophosphorylation of the cytoplasmic domain of Epidermal growth factor receptor using DELFIA/time-resolved fluorometry.	ChEMBL.	10966743
IC50 (binding)	= 2.73 uM	Concentration needed to inhibit the autophosphorylation of the cytoplasmic domain of Epidermal growth factor receptor using DELFIA/time-resolved fluorometry.	ChEMBL.	10966743
IC50 (functional)	= 60.43 uM	Concentration needed to inhibit 50% growth of human SW620 (colon carcinoma) cell lines	ChEMBL.	10966743
IC50 (functional)	= 60.43 uM	Concentration needed to inhibit 50% growth of human SW620 (colon carcinoma) cell lines	ChEMBL.	10966743

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	10966743

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: CHEMBL109476
PubChem: 5328854

Bibliographic References

2 literature references were 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 182908