TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 252.268 | Formula: C15H12N2O2
H donors: 1 H acceptors: 0 LogP: 2.38 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)c1ccc(cc1)c1ccc(o1)c1ccco1
InChi: 1S/C15H12N2O2/c16-15(17)11-5-3-10(4-6-11)12-7-8-14(19-12)13-2-1-9-18-13/h1-9H,(H3,16,17)
InChiKey: QVXIOHAOIPVCMZ-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
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0313	1
Brugia malayi	TAR-binding protein	0.0074	0.172	0.172
Brugia malayi	A-kinase anchor protein 10, precursor	0.0038	0.0769	0.0769
Schistosoma mansoni	axis inhibition protein axin	0.0038	0.0769	0.0769
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0769	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0345	0.8977	0.8977
Echinococcus granulosus	tar DNA binding protein	0.0074	0.172	0.1916
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0038	0.0769	0.0769
Schistosoma mansoni	serine/threonine protein kinase	0.0039	0.0794	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0769	0.0769
Brugia malayi	regulator of G-protein signaling egl-10	0.0038	0.0769	0.0769
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0038	0.0769	0.0769
Echinococcus multilocularis	regulator of G protein signaling 7	0.0038	0.0769	0.0857
Brugia malayi	hypothetical protein	0.0038	0.0769	0.0769
Entamoeba histolytica	hypothetical protein	0.0038	0.0769	1
Schistosoma mansoni	serine/threonine protein kinase	0.0039	0.0794	0.0794
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0313	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0222	0.0222
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0038	0.0769	0.0857
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0345	0.8977	0.8977
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.172	0.172
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0038	0.0769	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0313	1
Echinococcus granulosus	regulator of G protein signaling 3	0.0038	0.0769	0.0857
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0313	1
Schistosoma mansoni	regulator of G protein signaling	0.0038	0.0769	0.0769
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.172	0.172
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0222	0.0222
Entamoeba histolytica	hypothetical protein	0.0038	0.0769	1
Echinococcus granulosus	axis inhibition protein axin	0.0038	0.0769	0.0857
Brugia malayi	regulator of G-protein signaling rgs-7	0.0038	0.0769	0.0769
Schistosoma mansoni	ap endonuclease	0.0021	0.0313	0.0313
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0313	0.0313
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0769	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0769	0.0769
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0038	0.0769	0.0857
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0769	1
Echinococcus granulosus	Regulator of G protein signaling 20	0.0038	0.0769	0.0857
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.172	0.172
Toxoplasma gondii	exonuclease III APE	0.0021	0.0313	1
Schistosoma mansoni	regulator of G protein signaling	0.0038	0.0769	0.0769
Schistosoma mansoni	regulator of G protein signaling	0.0038	0.0769	0.0769
Echinococcus granulosus	regulator of G protein signaling 3	0.0038	0.0769	0.0857
Echinococcus multilocularis	regulator of G protein signaling 7	0.0038	0.0769	0.0857
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0313	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0222	0.0247
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.172	0.172
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.3466	0.3466
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0313	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0038	0.0769	0.0769
Schistosoma mansoni	z-protein (S1r protein)	0.0038	0.0769	0.0769
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0313	1
Echinococcus multilocularis	regulator of G protein signaling 3	0.0038	0.0769	0.0857
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0313	0.0348
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.172	0.172
Schistosoma mansoni	regulator of G protein signaling	0.0038	0.0769	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0769	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0769	0.0769
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0222	0.0222
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0769	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0313	0.5
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0039	0.0794	0.0885
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0345	0.8977	1
Schistosoma mansoni	regulator of G protein signaling	0.0038	0.0769	0.0769
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0313	0.0348
Echinococcus multilocularis	axis inhibition protein axin	0.0038	0.0769	0.0857
Echinococcus granulosus	axis inhibition protein axin	0.0038	0.0769	0.0857
Echinococcus granulosus	expressed protein	0.0038	0.0769	0.0857
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0383	1	1
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0345	0.8977	0.8977
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.172	0.172
Echinococcus multilocularis	regulator of G protein signaling 3	0.0038	0.0769	0.0857
Echinococcus multilocularis	axis inhibition protein axin	0.0038	0.0769	0.0857
Entamoeba histolytica	hypothetical protein	0.0038	0.0769	1
Brugia malayi	hypothetical protein	0.0038	0.0769	0.0769
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0345	0.8977	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0313	1
Brugia malayi	PXA domain containing protein	0.0038	0.0769	0.0769
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0038	0.0769	0.0769
Schistosoma mansoni	serine/threonine protein kinase	0.0383	1	1
Brugia malayi	PXA domain containing protein	0.0038	0.0769	0.0769
Echinococcus granulosus	regulator of G protein signaling 7	0.0038	0.0769	0.0857
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0038	0.0769	0.0857
Brugia malayi	MH2 domain containing protein	0.0139	0.3466	0.3466
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0769	1
Loa Loa (eye worm)	RNA binding protein	0.0074	0.172	0.172
Echinococcus multilocularis	expressed protein	0.0038	0.0769	0.0857
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0038	0.0769	0.0769
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0039	0.0794	0.0794
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0769	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0222	0.0247
Schistosoma mansoni	axis inhibition protein axin	0.0038	0.0769	0.0769
Echinococcus granulosus	regulator of G protein signaling 7	0.0038	0.0769	0.0857
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0313	0.5
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0313	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0222	0.0247
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.3466	0.3466
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0769	0.0769
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.172	0.1916
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0222	0.0247
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0222	0.0247
Schistosoma mansoni	ap endonuclease	0.0021	0.0313	0.0313
Echinococcus multilocularis	regulator of G protein signaling	0.0038	0.0769	0.0857
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0038	0.0769	0.0769
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0222	0.0247
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0039	0.0794	0.0885
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.172	0.172
Loa Loa (eye worm)	RGS-3 protein	0.0038	0.0769	0.0769
Loa Loa (eye worm)	PXA domain-containing protein	0.0038	0.0769	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0769	0.0769
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0222	0.0222
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.172	0.172
Brugia malayi	RNA binding protein	0.0074	0.172	0.172
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0313	0.0313

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)		Induction of Bos taurus (bovine) serum albumin degradation after 1 hr by SDS-PAGE analysis	ChEMBL.	No reference
IZ (functional)	= 6 mm	Antimicrobial activity against Escherichia coli at 100 ug after 24 hr by cup diffusion technique	ChEMBL.	No reference
IZ (functional)	= 11 mm	Antimicrobial activity against Saccharomyces cerevisiae at 100 ug after 24 hr by cup diffusion technique	ChEMBL.	No reference
MIC (functional)	= 15 ug ml-1	Antimicrobial activity against Saccharomyces cerevisiae after 24 hr by CLSI liquid dilution method	ChEMBL.	No reference
MIC (functional)	= 20 ug ml-1	Antimicrobial activity against Escherichia coli after 24 hr by CLSI liquid dilution method	ChEMBL.	No reference

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: CHEMBL2260582

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1791727