TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 252.225 | Formula: C14H8N2O3
H donors: 1 H acceptors: 5 LogP: 2.26 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C=CC(=O)c2c1c(O)nc(n2)c1ccccc1
InChi: 1S/C14H8N2O3/c17-9-6-7-10(18)12-11(9)14(19)16-13(15-12)8-4-2-1-3-5-8/h1-7H,(H,15,16,19)
InChiKey: RGPQQGGHVSDOKW-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 multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0121	0.0289
Entamoeba histolytica	hypothetical protein	0.0024	0.009	0.7063
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0049	0.3435
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0121	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0069	0.0069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0672	0.0672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Brugia malayi	MH2 domain containing protein	0.0116	0.0672	0.5517
Entamoeba histolytica	ABC transporter, putative	0.003	0.0128	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0128	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0049	0.3435
Echinococcus multilocularis	multidrug resistance associated protein 7	0.003	0.0128	0.0305
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0049	0.0049
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0672	0.0672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0049	0.3435
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Echinococcus multilocularis	multidrug resistance associated protein 1	0.003	0.0128	0.0305
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0023	0.0085	0.0085
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0128	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0049	0.3804
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.003	0.0128	0.0121
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.1218	0.1218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0049	0.0116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0049	0.3804
Trypanosoma cruzi	hypothetical protein	0.0023	0.0083	0.6536
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0049	0.0116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Echinococcus multilocularis	serine protein kinase ATM	0.0024	0.009	0.0215
Leishmania major	pentamidine resistance protein 1	0.003	0.0128	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.009	0.0646
Leishmania major	p-glycoprotein e	0.003	0.0128	1
Trypanosoma brucei	p-glycoprotein	0.003	0.0128	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0128	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0069	0.5384
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0007	0.0051
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0018	0.0049	0.3804
Brugia malayi	ABC transporter transmembrane region family protein	0.003	0.0128	0.1047
Schistosoma mansoni	multidrug resistance protein	0.003	0.0128	0.0305
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0049	0.3435
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0049	0.3435
Echinococcus multilocularis	microtubule associated protein 2	0.0669	0.4186	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0049	0.0398
Entamoeba histolytica	hypothetical protein	0.003	0.0128	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0049	0.0027
Trypanosoma brucei	multidrug resistance protein E	0.003	0.0128	1
Giardia lamblia	MRP-like ABC transporter	0.003	0.0128	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Echinococcus granulosus	serine protein kinase ATM	0.0024	0.009	0.0215
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.003	0.0128	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0024	0.009	0.0215
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0049	0.0116
Toxoplasma gondii	FATC domain-containing protein	0.0024	0.009	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0007	0.0051
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Loa Loa (eye worm)	hypothetical protein	0.003	0.0128	0.0128
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0049	0.0049
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	0.009	0.7063
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.003	0.0128	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0128	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0049	0.3821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0049	0.3804
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.003	0.0128	0.0128
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0049	0.0116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0023	0.0083	0.0199
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0024	0.009	0.6888
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Brugia malayi	Pre-SET motif family protein	0.0029	0.0121	0.0993
Plasmodium vivax	SET domain protein, putative	0.0029	0.0121	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0121	0.0289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0121	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0007	0.0007
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Schistosoma mansoni	microtubule-associated protein tau	0.0669	0.4186	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.003	0.0128	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0114	0.0273
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.003	0.0128	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0128	0.0128
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.003	0.0128	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0121	0.0289
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.1584	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0024	0.009	0.074
Schistosoma mansoni	multidrug resistance protein	0.003	0.0128	0.0305
Leishmania major	ABC-thiol transporter	0.003	0.0128	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.003	0.0128	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0128	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0121	0.0289
Schistosoma mansoni	multidrug resistance protein	0.003	0.0128	0.0305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Entamoeba histolytica	multidrug resistance protein, putative	0.003	0.0128	1
Brugia malayi	Pre-SET motif family protein	0.0202	0.1218	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.003	0.0128	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0023	0.0083	0.0199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Loa Loa (eye worm)	hypothetical protein	0.003	0.0126	0.0126
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0049	0.3804
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0049	0.0116
Brugia malayi	multidrug resistance related protein 1	0.003	0.0128	0.1047
Giardia lamblia	ABC transporter, putative	0.003	0.0128	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0128	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0018	0.0049	0.3804
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0049	0.0041
Onchocerca volvulus		0.023	0.1395	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0049	0.3804
Trichomonas vaginalis	set domain proteins, putative	0.023	0.1395	1
Loa Loa (eye worm)	hypothetical protein	0.1584	1	1
Loa Loa (eye worm)	hypothetical protein	0.1584	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0121	0.0289
Toxoplasma gondii	hypothetical protein	0.1584	1	1
Schistosoma mansoni	multidrug resistance protein	0.003	0.0128	0.0305
Echinococcus granulosus	multidrug resistance associated protein 7	0.003	0.0128	0.0305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.003	0.0128	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0121	0.0121
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0126	0.9805
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0049	0.0116
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0049	0.0398
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0121	0.0289
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.003	0.0128	1
Echinococcus granulosus	microtubule associated protein 2	0.0669	0.4186	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.003	0.0128	0.0305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0049	0.0348

Activities

Activity type	Activity value	Assay description	Source	Reference
k (binding)	= 956 M-1 min-1	Second order rate constant for the inactivation of Purine Nucleoside Phosphorylase by compound in 0.05 M Phosphate Buffer and at a pH 7.4 (u=0.1 KCl) at 30.0 degree centigrade	ChEMBL.	No reference
k (binding)	= 956 M-1 min-1	Second order rate constant for the inactivation of Purine Nucleoside Phosphorylase by compound in 0.05 M Phosphate Buffer and at a pH 7.4 (u=0.1 KCl) at 30.0 degree centigrade	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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 43928