TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.351 | Formula: C20H14N4O2
H donors: 1 H acceptors: 3 LogP: 1.88 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1cccc2c1nc1c3nc4ccccc4cc3Cn1c2=O
InChi: 1S/C20H14N4O2/c1-11(25)21-16-8-4-6-14-18(16)23-19-17-13(10-24(19)20(14)26)9-12-5-2-3-7-15(12)22-17/h2-9H,10H2,1H3,(H,21,25)
InChiKey: CIGXOYVHLMFIDP-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus granulosus	contactin	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Onchocerca volvulus		0.0076	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.005	0.5403	0.5403
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.005	0.5403	0.5403
Brugia malayi	SPRY domain containing protein	0.0034	0.2581	0.2581
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0034	0.2581	0.2581
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0034	0.2581	0.2581
Brugia malayi	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Loa Loa (eye worm)	animal heme peroxidase	0.0076	1	1
Echinococcus granulosus	titin	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Schistosoma mansoni	peroxidasin	0.0076	1	1
Schistosoma mansoni	ephrin receptor	0.0045	0.4507	0.4507
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.005	0.5403	0.5403
Brugia malayi	Animal haem peroxidase family protein	0.0076	1	1
Brugia malayi	Peroxidasin	0.0076	1	1
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0042	0.4025	0.4025
Schistosoma mansoni	cell adhesion molecule	0.0034	0.2581	0.2581
Echinococcus granulosus	tyrosine protein kinase Fyn	0.005	0.5403	0.5403
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0076	1	1
Brugia malayi	SRC-1	0.005	0.5403	0.5403
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus granulosus	Fibronectin type III	0.0034	0.2581	0.2581
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0034	0.2581	0.2581
Echinococcus multilocularis	cell adhesion molecule	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.005	0.5403	0.5403
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Schistosoma mansoni	myosin-binding protein-related	0.0034	0.2581	0.2581
Brugia malayi	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.4723	0.4723
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.005	0.5403	0.5403
Trypanosoma cruzi	hypothetical protein, conserved	0.0034	0.2581	0.5
Schistosoma mansoni	cell adhesion molecule	0.0034	0.2581	0.2581
Schistosoma mansoni	peroxidasin	0.0076	1	1
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus granulosus	anosmin 1	0.0034	0.2581	0.2581
Echinococcus multilocularis	roundabout 2	0.0034	0.2581	0.2581
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0034	0.2581	0.2581
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0034	0.2581	0.2581
Schistosoma mansoni	factor for adipocyte differentiation	0.0034	0.2581	0.2581
Schistosoma mansoni	factor for adipocyte differentiation	0.0034	0.2581	0.2581
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0035	0.2797	0.2797
Brugia malayi	hypothetical protein	0.0034	0.2581	0.2581
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0034	0.2581	0.5
Brugia malayi	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Echinococcus granulosus	EG95	0.0034	0.2581	0.2581
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0034	0.2581	0.2581
Echinococcus granulosus	roundabout 2	0.0034	0.2581	0.2581
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0046	0.4723	0.4723
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0034	0.2581	0.2581
Schistosoma mansoni	hemicentin	0.0034	0.2581	0.2581
Brugia malayi	protein unc-22	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.005	0.5403	0.5403
Onchocerca volvulus		0.0076	1	1
Echinococcus multilocularis	transfer RNA-Phe	0.0034	0.2581	0.2581
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Echinococcus granulosus	roundabout 2	0.0034	0.2581	0.2581
Echinococcus granulosus	G1Y162 protein	0.0034	0.2581	0.2581
Schistosoma mansoni	hypothetical protein	0.0034	0.2581	0.2581
Echinococcus granulosus	tyrosine protein kinase Src64B	0.005	0.5403	0.5403
Echinococcus granulosus	tyrosine protein kinase Fyn	0.005	0.5403	0.5403
Loa Loa (eye worm)	SRC-1	0.005	0.5403	0.3804
Brugia malayi	protein-tyrosine kinase	0.0046	0.4723	0.4723
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0035	0.2797	0.2797
Echinococcus multilocularis	anosmin 1	0.0034	0.2581	0.2581
Echinococcus multilocularis	neuroglian	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0046	0.4723	0.4723
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.005	0.5403	0.5403
Echinococcus multilocularis	usherin	0.0034	0.2581	0.2581
Echinococcus multilocularis	Netrin receptor DCC	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Schistosoma mansoni	tyrosine kinase	0.005	0.5403	0.5403
Brugia malayi	Animal haem peroxidase family protein	0.0076	1	1
Onchocerca volvulus	Peroxidasin homolog	0.0076	1	1
Echinococcus granulosus	anosmin 1	0.0034	0.2581	0.2581
Schistosoma mansoni	cell adhesion molecule	0.0034	0.2581	0.2581
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0034	0.2581	0.2581
Loa Loa (eye worm)	animal heme peroxidase	0.0076	1	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.5403	0.5403
Schistosoma mansoni	cell adhesion molecule	0.0034	0.2581	0.2581
Schistosoma mansoni	nephrin	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0034	0.2581	0.2581
Onchocerca volvulus		0.0076	1	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0034	0.2581	0.2581
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0034	0.2581	0.2581
Echinococcus granulosus	tyrosine protein kinase Fyn	0.005	0.5403	0.5403
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus multilocularis	peroxidasin	0.0076	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus multilocularis	roundabout 2	0.0034	0.2581	0.2581
Echinococcus multilocularis	anosmin 1	0.0034	0.2581	0.2581
Echinococcus granulosus	nephrin	0.0034	0.2581	0.2581
Echinococcus granulosus	tyrosine kinase	0.0046	0.4723	0.4723
Echinococcus granulosus	tyrosine protein kinase Lyn	0.005	0.5403	0.5403
Schistosoma mansoni	protein tyrosine phosphatase	0.0034	0.2581	0.2581
Schistosoma mansoni	factor for adipocyte differentiation	0.0034	0.2581	0.2581
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Onchocerca volvulus	Peroxidase homolog	0.0076	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.5403	0.5403
Schistosoma mansoni	titin	0.0034	0.2581	0.2581
Echinococcus granulosus	anosmin 1	0.0034	0.2581	0.2581
Schistosoma mansoni	cell adhesion molecule	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus granulosus	Netrin receptor DCC	0.0034	0.2581	0.2581
Schistosoma mansoni	tripartite motif protein trim9	0.0034	0.2581	0.2581
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.005	0.5403	0.5403
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0034	0.2581	0.2581
Echinococcus multilocularis	Fibronectin, type III	0.0034	0.2581	0.2581
Loa Loa (eye worm)	blistered cuticle protein 3	0.0076	1	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0045	0.4507	0.4507
Echinococcus granulosus	cell adhesion molecule	0.0034	0.2581	0.2581
Schistosoma mansoni	serine/threonine protein kinase	0.0034	0.2581	0.2581
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0034	0.2581	0.2581
Loa Loa (eye worm)	TK protein kinase	0.0046	0.4723	0.2887
Brugia malayi	Animal haem peroxidase family protein	0.0076	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0076	1	1
Entamoeba histolytica	protein kinase, putative	0.0042	0.4025	0.5
Echinococcus granulosus	titin	0.0034	0.2581	0.2581
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0034	0.2581	0.2581
Schistosoma mansoni	neuroglian	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Leishmania major	hypothetical protein, conserved	0.0034	0.2581	0.5
Schistosoma mansoni	tyrosine kinase	0.005	0.5403	0.5403
Echinococcus granulosus	tyrosine protein kinase Src42A	0.005	0.5403	0.5403
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0034	0.2581	0.2581
Echinococcus granulosus	tyrosine protein kinase HCK	0.0042	0.4025	0.4025
Echinococcus granulosus	neuroglian	0.0034	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus multilocularis	Netrin receptor DCC	0.0034	0.2581	0.2581
Brugia malayi	myotactin form A	0.0034	0.2581	0.2581
Echinococcus multilocularis	titin	0.0034	0.2581	0.2581
Echinococcus granulosus	roundabout 2	0.0034	0.2581	0.2581
Schistosoma mansoni	hypothetical protein	0.0034	0.2581	0.2581
Schistosoma mansoni	hypothetical protein	0.0034	0.2581	0.2581
Brugia malayi	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0034	0.2581	0.2581
Brugia malayi	Animal haem peroxidase family protein	0.0076	1	1
Schistosoma mansoni	titin	0.0034	0.2581	0.2581
Echinococcus granulosus	peroxidasin	0.0076	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Brugia malayi	Blistered cuticle protein 3	0.0076	1	1
Echinococcus granulosus	usherin	0.0034	0.2581	0.2581
Echinococcus multilocularis	titin	0.0034	0.2581	0.2581
Brugia malayi	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Loa Loa (eye worm)	animal heme peroxidase	0.0076	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Brugia malayi	hypothetical protein	0.0034	0.2581	0.2581
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0034	0.2581	0.2581
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.005	0.5403	0.5403
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0034	0.2581	0.2581
Brugia malayi	Fibronectin type III domain containing protein	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Onchocerca volvulus	Peroxidasin homolog	0.0076	1	1
Schistosoma mansoni	nephrin	0.0034	0.2581	0.2581
Onchocerca volvulus	Peroxidase homolog	0.0076	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	1	1
Echinococcus multilocularis	roundabout 2	0.0034	0.2581	0.2581
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0045	0.4507	0.4507
Echinococcus granulosus	Netrin receptor DCC	0.0034	0.2581	0.2581
Onchocerca volvulus	Chorion peroxidase homolog	0.0076	1	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0034	0.2581	0.2581
Echinococcus multilocularis	anosmin 1	0.0034	0.2581	0.2581
Brugia malayi	Protein-tyrosine phosphatase	0.0034	0.2581	0.2581
Schistosoma mansoni	titin	0.0034	0.2581	0.2581
Onchocerca volvulus	Dual oxidase homolog	0.0076	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0034	0.2581	0.2581
Brugia malayi	Lethal protein 805	0.0034	0.2581	0.2581
Brugia malayi	Lethal protein 805	0.0034	0.2581	0.2581
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0034	0.2581	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0034	0.2581	0.2581
Brugia malayi	myotactin form B	0.0034	0.2581	0.2581
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0034	0.2581	0.5
Loa Loa (eye worm)	TK protein kinase	0.0042	0.4025	0.1947
Echinococcus granulosus	tyrosine protein kinase Blk	0.0046	0.4723	0.4723
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0046	0.4723	0.4723

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	> 20 uM	Growth inhibition of adriamycin-resistant MCF7 cells after 4 days	ChEMBL.	17418582
GI50 (functional)	> 20 uM	Growth inhibition of HeLa cells after 4 days	ChEMBL.	17418582
GI50 (functional)	> 20 uM	Growth inhibition of MCF7 cells after 4 days	ChEMBL.	17418582
GI50 (functional)	> 20 uM	Growth inhibition of adriamycin-resistant MCF7 cells after 4 days	ChEMBL.	17418582
GI50 (functional)	> 20 uM	Growth inhibition of HeLa cells after 4 days	ChEMBL.	17418582
GI50 (functional)	> 20 uM	Growth inhibition of MCF7 cells after 4 days	ChEMBL.	17418582

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

No external resources registered for this compound

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 451890