TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.3 | Formula: C18H12N2O2
H donors: 0 H acceptors: 2 LogP: 2.93 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(nc1)c1cc(cc(n1)c1ccco1)c1ccoc1
InChi: 1S/C18H12N2O2/c1-2-7-19-15(4-1)16-10-14(13-6-9-21-12-13)11-17(20-16)18-5-3-8-22-18/h1-12H
InChiKey: LTPNYYHVNAOFCR-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
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Brugia malayi	A-macroglobulin complement component family protein	0.0051	0.2286	0.2286
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	Tubulin beta-1 chain	0.0046	0.1846	0.1846
Loa Loa (eye worm)	TYRA-2 protein	0.0026	0.0234	0.0234
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Brugia malayi	RE15519p	0.0026	0.0234	0.0234
Brugia malayi	GnHR receptor homolog	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	A-macroglobulin complement component family protein	0.0051	0.2286	0.2286
Schistosoma mansoni	hypothetical protein	0.0048	0.1981	0.2913
Toxoplasma gondii	beta-tubulin, putative	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus granulosus	tubulin subunit beta	0.0046	0.1846	0.9225
Echinococcus multilocularis	beta tubulin	0.0046	0.1846	0.7853
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0046	0.1859	0.2708
Schistosoma mansoni	tubulin subunit beta	0.0046	0.1846	0.2687
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Schistosoma mansoni	tubulin subunit beta	0.0046	0.1846	0.2687
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0046	0.1859	0.7916
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0026	0.0234	0.0234
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	tubulin beta-4 chain	0.0046	0.1846	0.1846
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0046	0.1859	0.2708
Brugia malayi	Dopamine receptor protein 2	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	cd109 antigen	0.0048	0.1981	0.8513
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Brugia malayi	Melatonin receptor type 1A	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Toxoplasma gondii	beta-1 tubulin, putative	0.0046	0.1846	0.5
Onchocerca volvulus		0.0026	0.0234	0.0472
Trichomonas vaginalis	tubulin alpha chain, putative	0.0046	0.1846	0.5
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	GPCR, family 2	0.0046	0.1859	0.7916
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0046	0.1846	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	alpha 2 macroglobulin	0.0051	0.2286	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0046	0.1846	0.9225
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Trichomonas vaginalis	tubulin gamma chain, putative	0.0046	0.1846	0.5
Onchocerca volvulus		0.0026	0.0234	0.0472
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Giardia lamblia	Beta tubulin	0.0046	0.1846	0.5
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0046	0.1846	0.7853
Onchocerca volvulus		0.0026	0.0234	0.0472
Brugia malayi	AKH receptor	0.0026	0.0234	0.0234
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0145	1	1
Brugia malayi	neuropeptide F receptor	0.0026	0.0234	0.0234
Echinococcus multilocularis	Tubulin beta 2C chain	0.0046	0.1846	0.7853
Loa Loa (eye worm)	BEN-1 protein	0.0046	0.1846	0.1846
Echinococcus granulosus	cd109 antigen	0.0048	0.1981	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0026	0.0234	0.0234
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0026	0.0234	0.0234
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	melatonin receptor type 1A	0.0026	0.0234	0.0234
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Schistosoma mansoni	tubulin subunit beta	0.0046	0.1846	0.2687
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Plasmodium falciparum	tubulin beta chain	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Trypanosoma brucei	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0046	0.1846	0.9225
Schistosoma mansoni	macroglobulin/complement	0.0051	0.2286	0.3421
Brugia malayi	G protein-coupled receptor F59B2.13	0.0026	0.0234	0.0234
Loa Loa (eye worm)	tubulin beta-2A chain	0.0046	0.1846	0.1846
Brugia malayi	ORL1-like opioid receptor	0.0026	0.0234	0.0234
Echinococcus multilocularis	Tubulin beta 2C chain	0.0046	0.1846	0.7853
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	tubulin subunit beta	0.0046	0.1846	0.7853
Loa Loa (eye worm)	beta-tubulin	0.0046	0.1846	0.1846
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0099	0.6232	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0046	0.1859	0.9299
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus granulosus	beta tubulin	0.0046	0.1846	0.9225
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0046	0.1859	0.1859
Schistosoma mansoni	hypothetical protein	0.0046	0.1859	0.2708
Brugia malayi	Dopamine receptor protein 1	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	neuropeptide F receptor	0.0026	0.0234	0.0234
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0046	0.1846	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0046	0.1859	0.1859
Toxoplasma gondii	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	sulfakinin receptor protein	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Brugia malayi	latrophilin 2 splice variant baaae	0.0099	0.6232	0.6232
Entamoeba histolytica	tubulin family protein	0.0046	0.1846	0.5
Trypanosoma brucei	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	tubulin beta-1 chain	0.0046	0.1846	0.1846
Brugia malayi	beta-tubulin, identical	0.0046	0.1846	0.1846
Schistosoma mansoni	tubulin subunit beta	0.0046	0.1846	0.2687
Onchocerca volvulus		0.0026	0.0234	0.0472
Brugia malayi	larval opioid receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1859	0.1859
Brugia malayi	G-protein coupled receptor	0.0026	0.0234	0.0234
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	G-protein coupled receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Schistosoma mansoni	tubulin subunit beta	0.0046	0.1846	0.2687
Brugia malayi	Latrophilin receptor protein 2	0.0046	0.1859	0.1859
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Entamoeba histolytica	tubulin family protein	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus granulosus	Tubulin beta 2C chain	0.0046	0.1846	0.9225
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0026	0.0234	0.0472
Onchocerca volvulus		0.0084	0.4962	1
Trypanosoma cruzi	beta tubulin, putative	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0145	1	1
Onchocerca volvulus		0.0026	0.0234	0.0472
Loa Loa (eye worm)	neuropeptide F receptor	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	hypothetical protein	0.0026	0.0234	0.0234
Trypanosoma brucei	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0145	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Giardia lamblia	Beta tubulin	0.0046	0.1846	0.5
Giardia lamblia	Beta tubulin	0.0046	0.1846	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0046	0.1846	0.9225
Echinococcus granulosus	beta tubulin	0.0046	0.1846	0.9225
Onchocerca volvulus		0.0026	0.0234	0.0472
Trypanosoma brucei	beta tubulin	0.0046	0.1846	0.5
Schistosoma mansoni	tubulin subunit beta	0.0046	0.1846	0.2687
Onchocerca volvulus		0.0026	0.0234	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0099	0.6232	0.6232
Echinococcus multilocularis	beta tubulin	0.0046	0.1846	0.7853
Brugia malayi	G protein-coupled receptor	0.0026	0.0234	0.0234
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0046	0.1859	0.7916
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Echinococcus granulosus	GPCR family 2	0.0046	0.1859	0.9299
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Onchocerca volvulus		0.0026	0.0234	0.0472
Brugia malayi	follicle stimulating hormone receptor	0.0026	0.0234	0.0234
Echinococcus granulosus	tubulin beta 1 chain	0.0046	0.1846	0.9225
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	Tubulin beta 2C chain	0.0046	0.1846	0.7853
Echinococcus granulosus	Tubulin beta 2C chain	0.0046	0.1846	0.9225
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0026	0.0234	0.0234
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0026	0.0234	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Schistosoma mansoni	hypothetical protein	0.0046	0.1859	0.2708
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Brugia malayi	Serotonin receptor	0.0026	0.0234	0.0234
Leishmania major	beta tubulin	0.0046	0.1846	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0046	0.1846	0.1846
Brugia malayi	Serotonin receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	G-protein coupled receptor	0.0026	0.0234	0.0234
Onchocerca volvulus		0.0026	0.0234	0.0472
Plasmodium vivax	tubulin beta chain, putative	0.0046	0.1846	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0026	0.0234	0.0234
Echinococcus granulosus	tubulin beta 4A class IVa	0.0046	0.1846	0.9225
Onchocerca volvulus		0.0026	0.0234	0.0472
Brugia malayi	putative neuropeptide receptor	0.0026	0.0234	0.0234
Trichomonas vaginalis	tubulin beta chain, putative	0.0046	0.1846	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0026	0.0234	0.0234
Loa Loa (eye worm)	tubulin beta chain	0.0046	0.1846	0.1846
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus multilocularis	Tubulin beta 2C chain	0.0046	0.1846	0.7853
Onchocerca volvulus		0.0026	0.0234	0.0472
Trichomonas vaginalis	tubulin, putative	0.0046	0.1846	0.5
Echinococcus multilocularis	tubulin beta 1 chain	0.0046	0.1846	0.7853
Echinococcus multilocularis	Tubulin beta 2C chain	0.0046	0.1846	0.7853
Brugia malayi	Dopamine receptor	0.0026	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0234	0.0234
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0046	0.1859	0.9299

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	0	Inhibition of human topoisomerase 2 at 20 uM	ChEMBL.	17493824
Activity (binding)	0	Inhibition of human topoisomerase 2 at 100 uM	ChEMBL.	17493824

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 424655