TDR Targets

Basic information

Technical information

TDR Targets ID: 1817593
Name: N-[4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl) amino]phenyl]acetamide
MW: 372.806 | Formula: C18H17ClN4O3
H donors: 2 H acceptors: 3 LogP: 3.5 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(Nc3ccc(cc3)NC(=O)C)nc(nc2cc1OC)Cl
InChi: 1S/C18H17ClN4O3/c1-10(24)20-11-4-6-12(7-5-11)21-17-13-8-15(25-2)16(26-3)9-14(13)22-18(19)23-17/h4-9H,1-3H3,(H,20,24)(H,21,22,23)
InChiKey: VNYZZTPLJQZDID-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

N-[4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]phenyl]acetamide
N-[4-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]phenyl]acetamide
N-[4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]phenyl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320

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	hypothetical protein, conserved	0.0344	0.6972	0.5
Schistosoma mansoni	hypothetical protein	0.0347	0.7058	0.7058
Onchocerca volvulus		0.0347	0.7058	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0347	0.7058	0.8826
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.035	0.7166	0.934
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0344	0.6972	0.8423
Onchocerca volvulus		0.0344	0.6972	0.984
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0344	0.6972	0.6972
Schistosoma mansoni	tripartite motif protein trim9	0.0344	0.6972	0.6972
Brugia malayi	Fibronectin type III domain containing protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	hypothetical protein	0.0355	0.7306	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.035	0.7166	0.064
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0347	0.7081	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Echinococcus granulosus	roundabout 2	0.035	0.7166	0.064
Echinococcus multilocularis	neuroglian	0.035	0.7166	0.064
Schistosoma mansoni	titin	0.0347	0.7058	0.7058
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Schistosoma mansoni	cell adhesion molecule	0.035	0.7166	0.7166
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0347	0.7058	0.8826
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7081	0.8937
Loa Loa (eye worm)	myotactin form A	0.0344	0.6972	0.8423
Schistosoma mansoni	cell adhesion molecule	0.0359	0.7414	0.7414
Schistosoma mansoni	cell adhesion molecule	0.0347	0.7058	0.7058
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0344	0.6972	0.8423
Brugia malayi	Fibronectin type III domain containing protein	0.0344	0.6972	0.8423
Schistosoma mansoni	nephrin	0.035	0.7166	0.7166
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Schistosoma mansoni	serine/threonine protein kinase	0.0347	0.7058	0.7058
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Brugia malayi	Immunoglobulin I-set domain containing protein	0.035	0.7166	0.934
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Onchocerca volvulus		0.0347	0.7058	1
Schistosoma mansoni	protein tyrosine phosphatase	0.0344	0.6972	0.6972
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0344	0.6972	0.8423
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0347	0.7058	0.8826
Onchocerca volvulus		0.0344	0.6972	0.984
Brugia malayi	Immunoglobulin I-set domain containing protein	0.035	0.7166	0.934
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Brugia malayi	SPRY domain containing protein	0.0344	0.6972	0.8423
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0344	0.6972	0.5
Schistosoma mansoni	myosin-binding protein-related	0.0347	0.7058	0.7058
Schistosoma mansoni	ephrin receptor	0.0446	1	1
Echinococcus granulosus	titin	0.0347	0.7058	0.0281
Onchocerca volvulus	Tyrosine kinase homolog	0.0272	0.4835	0.5835
Onchocerca volvulus		0.0344	0.6972	0.984
Echinococcus multilocularis	roundabout 2	0.035	0.7166	0.064
Onchocerca volvulus		0.0344	0.6972	0.984
Echinococcus multilocularis	roundabout 2	0.035	0.7166	0.064
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0347	0.7058	0.8826
Echinococcus granulosus	roundabout 2	0.0361	0.75	0.1741
Loa Loa (eye worm)	hypothetical protein	0.0355	0.7306	1
Schistosoma mansoni	neuroglian	0.035	0.7166	0.7166
Brugia malayi	Fibronectin type III domain containing protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0347	0.7081	0.8937
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0344	0.6972	0.5
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0347	0.7081	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Schistosoma mansoni	hypothetical protein	0.0344	0.6972	0.6972
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0344	0.6972	0.8423
Onchocerca volvulus		0.0344	0.6972	0.984
Brugia malayi	hypothetical protein	0.0344	0.6972	0.8423
Brugia malayi	protein unc-22	0.0347	0.7058	0.8826
Brugia malayi	myotactin form B	0.0344	0.6972	0.8423
Echinococcus granulosus	neuroglian	0.035	0.7166	0.064
Loa Loa (eye worm)	hypothetical protein	0.035	0.7166	0.934
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.035	0.7166	0.934
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Schistosoma mansoni	cell adhesion molecule	0.0347	0.7058	0.7058
Brugia malayi	Lethal protein 805	0.0344	0.6972	0.8423
Schistosoma mansoni	factor for adipocyte differentiation	0.0344	0.6972	0.6972
Brugia malayi	myotactin form A	0.0344	0.6972	0.8423
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0344	0.6972	0.6972
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0344	0.6972	0.8423
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0446	1	1
Schistosoma mansoni	hemicentin	0.0347	0.7058	0.7058
Onchocerca volvulus		0.0344	0.6972	0.984
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.035	0.7166	0.064
Onchocerca volvulus		0.0344	0.6972	0.984
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Schistosoma mansoni	factor for adipocyte differentiation	0.0344	0.6972	0.6972
Loa Loa (eye worm)	hypothetical protein	0.0347	0.7058	0.8826
Schistosoma mansoni	nephrin	0.0358	0.7391	0.7391
Echinococcus multilocularis	transfer RNA-Phe	0.0347	0.7058	0.0281
Echinococcus multilocularis	roundabout 2	0.0361	0.75	0.1741
Trypanosoma cruzi	hypothetical protein, conserved	0.0344	0.6972	0.5
Brugia malayi	Lethal protein 805	0.0344	0.6972	0.8423
Echinococcus granulosus	roundabout 2	0.035	0.7166	0.064
Loa Loa (eye worm)	hypothetical protein	0.0347	0.7058	0.8826
Onchocerca volvulus		0.0344	0.6972	0.984
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0347	0.7058	0.0281
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.035	0.7166	0.064
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.035	0.7166	0.064
Schistosoma mansoni	hypothetical protein	0.0344	0.6972	0.6972
Echinococcus granulosus	titin	0.0347	0.7058	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	CAMK protein kinase	0.0347	0.7058	0.8826
Brugia malayi	Fibronectin type III domain containing protein	0.0344	0.6972	0.8423
Brugia malayi	Immunoglobulin I-set domain containing protein	0.035	0.7166	0.934
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0344	0.6972	0.8423
Schistosoma mansoni	titin	0.0347	0.7058	0.7058
Brugia malayi	Protein-tyrosine phosphatase	0.0344	0.6972	0.8423
Loa Loa (eye worm)	UNCoordinated family member	0.0344	0.6972	0.8423
Echinococcus granulosus	nephrin	0.0347	0.7058	0.0281
Schistosoma mansoni	factor for adipocyte differentiation	0.0344	0.6972	0.6972
Onchocerca volvulus		0.0347	0.7058	1
Echinococcus granulosus	contactin	0.035	0.7166	0.064
Brugia malayi	Fibronectin type III domain containing protein	0.0355	0.7306	1
Onchocerca volvulus		0.0344	0.6972	0.984
Schistosoma mansoni	titin	0.0344	0.6972	0.6972
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0355	0.7306	1
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0344	0.6972	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.035	0.7166	0.064
Echinococcus multilocularis	titin	0.0347	0.7058	0.0281
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Brugia malayi	hypothetical protein	0.0355	0.7306	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0344	0.6972	0.6972
Onchocerca volvulus		0.0344	0.6972	0.984
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0344	0.6972	0.6972
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Onchocerca volvulus		0.0344	0.6972	0.984
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	hypothetical protein	0.0355	0.7306	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0344	0.6972	0.8423
Brugia malayi	Fibronectin type III domain containing protein	0.0344	0.6972	0.8423
Loa Loa (eye worm)	lethal protein 805	0.0344	0.6972	0.8423
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.035	0.7166	0.7166
Schistosoma mansoni	cell adhesion molecule	0.035	0.7166	0.7166
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0347	0.7058	0.8826
Loa Loa (eye worm)	projectin	0.0347	0.7058	0.8826
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6972	0.8423

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.99 uM	Inhibition of VEGFR2 (unknown origin) assessed as inhibition of 33[Pi] incorporation after 60 mins by scintillation counting	ChEMBL.	24269511
IC50 (binding)	= 37.6 uM	Inhibition of wild type EGFR (unknown origin) assessed as inhibition of 33[Pi] incorporation after 60 mins by scintillation counting	ChEMBL.	24269511

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: CHEMBL3098326

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 1817593