TDR Targets

Basic information

Technical information

TDR Targets ID: 217722
Name: N-(4-cyanophenyl)-4-[6-methoxy-7-[2-(triazol- 2-yl)ethoxy]quinazolin-4-yl]piperazine-1-carb oxamide
MW: 499.525 | Formula: C25H25N9O3
H donors: 1 H acceptors: 6 LogP: 2.27 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OCCn1nccn1)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
InChi: 1S/C25H25N9O3/c1-36-22-14-20-21(15-23(22)37-13-12-34-29-6-7-30-34)27-17-28-24(20)32-8-10-33(11-9-32)25(35)31-19-4-2-18(16-26)3-5-19/h2-7,14-15,17H,8-13H2,1H3,(H,31,35)
InChiKey: JRNFYSGUKJTVJL-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-cyanophenyl)-4-[6-methoxy-7-[2-(2-triazolyl)ethoxy]-4-quinazolinyl]-1-piperazinecarboxamide
N-(4-cyanophenyl)-4-[6-methoxy-7-[2-(1,2,3-triazol-2-yl)ethoxy]quinazolin-4-yl]piperazine-1-carboxamide

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
Toxoplasma gondii	kringle domain-containing protein	0.0881	0.9955	0.5
Onchocerca volvulus		0.013	0.1329	0.0387
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.013	0.1329	0.1335
Echinococcus multilocularis	glycoprotein Antigen 5	0.013	0.1329	0.1335
Onchocerca volvulus		0.0881	0.9955	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.013	0.1329	0.1335
Onchocerca volvulus		0.0229	0.2472	0.1661
Brugia malayi	Trypsin family protein	0.013	0.1329	0.1315
Schistosoma mansoni	hypothetical protein	0.013	0.1329	0.1335
Brugia malayi	Trypsin family protein	0.0229	0.2472	0.2464
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.013	0.1329	0.1335
Loa Loa (eye worm)	hypothetical protein	0.013	0.1329	0.1321
Echinococcus multilocularis	tissue type plasminogen activator	0.0881	0.9955	1
Onchocerca volvulus		0.013	0.1329	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0033
Echinococcus multilocularis	enteropeptidase	0.013	0.1329	0.1335
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.013	0.1329	0.1335
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.013	0.1329	0.1335
Plasmodium falciparum	cysteine repeat modular protein 1	0.0881	0.9955	0.5
Echinococcus granulosus	tissue type plasminogen activator	0.0881	0.9955	1
Leishmania major	hypothetical protein, conserved	0.0881	0.9955	0.5
Onchocerca volvulus		0.013	0.1329	0.0387
Echinococcus multilocularis	transmembrane protease serine 3	0.013	0.1329	0.1335
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.013	0.1329	0.1335
Echinococcus multilocularis	roundabout 2	0.0018	0.0042	0.0042
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0229	0.2472	0.2483
Onchocerca volvulus		0.013	0.1329	0.0387
Mycobacterium ulcerans	hypothetical protein	0.013	0.1329	0.5
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.013	0.1329	0.1335
Brugia malayi	Trypsin family protein	0.013	0.1329	0.1315
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Echinococcus granulosus	glycoprotein Antigen 5	0.013	0.1329	0.1335
Loa Loa (eye worm)	trypsin family protein	0.013	0.1329	0.1321
Brugia malayi	Trypsin family protein	0.013	0.1329	0.1315
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.013	0.1329	0.1315
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0881	0.9955	0.5
Schistosoma mansoni	hypothetical protein	0.013	0.1329	0.1335
Brugia malayi	Protein kinase domain containing protein	0.0882	0.9967	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0229	0.2472	0.2483
Echinococcus granulosus	roundabout 2	0.0018	0.0042	0.0042
Brugia malayi	Trypsin-like protease protein 5	0.013	0.1329	0.1315
Echinococcus multilocularis	Mastin	0.013	0.1329	0.1335
Loa Loa (eye worm)	hypothetical protein	0.013	0.1329	0.1321
Schistosoma mansoni	cell adhesion molecule	0.0015	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.013	0.1329	0.1321
Echinococcus granulosus	transmembrane protease serine 3	0.013	0.1329	0.1335
Echinococcus granulosus	enteropeptidase	0.013	0.1329	0.1335
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.013	0.1329	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2472	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0033
Echinococcus granulosus	Mastin	0.013	0.1329	0.1335
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0016	0.0021	0.0012
Schistosoma mansoni	hypothetical protein	0.0881	0.9955	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.013	0.1329	0.1335
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Trypanosoma cruzi	hypothetical protein, conserved	0.0881	0.9955	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.1329	0.1321
Onchocerca volvulus		0.013	0.1329	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0881	0.9955	0.9955
Loa Loa (eye worm)	hypothetical protein	0.013	0.1329	0.1321
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0009	0.0009
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.013	0.1329	0.1335
Brugia malayi	Kringle domain containing protein	0.0881	0.9955	0.9988
Brugia malayi	hypothetical protein	0.013	0.1329	0.1315
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2472	0.2465
Schistosoma mansoni	cercarial elastase (S01 family)	0.013	0.1329	0.1335

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.2 uM	Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma	ChEMBL.	12166950
IC50 (binding)	= 1.2 uM	Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma	ChEMBL.	12166950
IC50 (binding)	= 2.21 uM	Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma	ChEMBL.	12166950
IC50 (binding)	= 2.21 uM	Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma	ChEMBL.	12166950
ND (ADMET)	0	Pharmacokinetic parameter half life in HLM assay.; ND is No Data	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: CHEMBL127581
PubChem: 10885583

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 217722