TDR Targets

Basic information

Technical information

TDR Targets ID: 216146
Name: 4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N -(4-quinolin-5-yloxyphenyl)piperazine-1-carbo xamide
MW: 624.686 | Formula: C34H36N6O6
H donors: 1 H acceptors: 4 LogP: 4.1 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COCCOc1cc2c(cc1OCCOC)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1cccc2c1cccn2
InChi: 1S/C34H36N6O6/c1-42-17-19-44-31-21-27-29(22-32(31)45-20-18-43-2)36-23-37-33(27)39-13-15-40(16-14-39)34(41)38-24-8-10-25(11-9-24)46-30-7-3-6-28-26(30)5-4-12-35-28/h3-12,21-23H,13-20H2,1-2H3,(H,38,41)
InChiKey: DFWUEYBFCSHHII-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-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(5-quinolyloxy)phenyl]piperazine-1-carboxamide
4-[6,7-bis(2-methoxyethoxy)-4-quinazolinyl]-N-[4-(5-quinolyloxy)phenyl]-1-piperazinecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	platelet-derived growth factor receptor, beta polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	amine GPCR	0.001	0.1965	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0011	0.3605	0.2041
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine receptor	0.001	0.1965	0.2733
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.1965	0.2733
Echinococcus multilocularis	roundabout 2	0.0018	1	1
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.1965	0.2733
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0011	0.3605	0.2041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.1965	0.2733
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.1965	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0018	1	1
Onchocerca volvulus		0.001	0.1965	0.5
Echinococcus multilocularis	Immunoglobulin	0.0011	0.3605	0.2041
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.1965	0.2733
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.001	0.1965	0.5
Schistosoma mansoni	amine GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine receptor	0.001	0.1965	0.2733
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.1965	0.2733
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.819	1
Echinococcus granulosus	defective proboscis extension response	0.0011	0.3605	0.2041
Schistosoma mansoni	neuropeptide receptor	0.001	0.1965	0.2733
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.1965	0.2733
Schistosoma mansoni	cell adhesion molecule	0.0015	0.7191	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.3605	0.2041
Schistosoma mansoni	amine GPCR	0.001	0.1965	0.2733
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.7191	0.6504
Echinococcus multilocularis	Immunoglobulin	0.0011	0.3605	0.2041
Schistosoma mansoni	adenoreceptor	0.001	0.1965	0.2733
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.3605	0.5013
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.1965	0.2733
Echinococcus granulosus	Immunoglobulin	0.0011	0.3605	0.2041
Brugia malayi	hypothetical protein	0.0011	0.3605	0.2634
Onchocerca volvulus		0.001	0.1965	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.7191	0.6504
Schistosoma mansoni	myosin xvIII	0.001	0.1965	0.2733
Schistosoma mansoni	hypothetical protein	0.001	0.1965	0.2733
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.3605	0.5013
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.1965	0.2733
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Echinococcus granulosus	neuroglian	0.0014	0.6414	0.5537
Schistosoma mansoni	hypothetical protein	0.001	0.1965	0.2733
Schistosoma mansoni	hypothetical protein	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	amine GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	vesicular amine transporter	0.0011	0.3605	0.5013
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0011	0.3605	0.2041
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0016	0.819	0.7748
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.1965	0.2733
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.3605	0.2634
Onchocerca volvulus		0.001	0.1965	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.001	0.1965	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.1965	0.2733
Echinococcus granulosus	twitchin	0.0014	0.6414	0.5537
Schistosoma mansoni	amine GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	hypothetical protein	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.1965	0.2733
Schistosoma mansoni	biogenic amine receptor	0.001	0.1965	0.2733
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.1965	0.2733
Schistosoma mansoni	opsin-like receptor	0.001	0.1965	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0011	0.3605	0.2041
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	opsin-like receptor	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	histamine h1 receptor	0.001	0.1965	0.2733
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.1965	0.2733
Schistosoma mansoni	opsin-like receptor	0.001	0.1965	0.2733
Echinococcus multilocularis	neuroglian	0.0014	0.6414	0.5537
Schistosoma mansoni	nephrin	0.0014	0.6414	0.892
Schistosoma mansoni	neuropeptide receptor	0.001	0.1965	0.2733
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.1965	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0018	1	1
Schistosoma mansoni	neuropeptide receptor	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.3605	0.2041
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.1965	0.2733
Brugia malayi	Fibronectin type III domain containing protein	0.0011	0.3605	0.2634
Loa Loa (eye worm)	hypothetical protein	0.0011	0.3605	0.2041
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Schistosoma mansoni	neuropeptide receptor	0.001	0.1965	0.2733
Onchocerca volvulus		0.001	0.1965	0.5
Onchocerca volvulus		0.001	0.1965	0.5
Onchocerca volvulus		0.001	0.1965	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0016 uM	Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma	ChEMBL.	12166950
IC50 (binding)	= 0.0016 uM	Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma	ChEMBL.	12166950
IC50 (binding)	= 0.5 uM	Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma	ChEMBL.	12166950
IC50 (binding)	= 0.5 uM	Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma	ChEMBL.	12166950
T1/2 (ADMET)	= 12 min	T1/2 in human liver microsomes	ChEMBL.	12166950
T1/2 (ADMET)	= 12 min	T1/2 in human liver microsomes	ChEMBL.	12166950

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: CHEMBL125811
PubChem: 10963192

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 216146