TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 260.245 | Formula: C13H12N2O4
H donors: 2 H acceptors: 2 LogP: 1.85 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1O)/C=N/NC(=O)c1ccco1
InChi: 1S/C13H12N2O4/c1-18-10-5-2-4-9(12(10)16)8-14-15-13(17)11-6-3-7-19-11/h2-8,16H,1H3,(H,15,17)/b14-8+
InChiKey: FJRCZQHAWRXKFV-RIYZIHGNSA-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	carbonic anhydrase	0.0058	0.1563	0.1551
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0058	0.1563	0.346
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0418	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1563	0.1551
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0156	0.4491	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0418	0.0905
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0534	0.6744
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0786	0.0773
Toxoplasma gondii	HEAT repeat-containing protein	0.0006	0.0013	0.0085
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0156	0.4491	0.4491
Toxoplasma gondii	exonuclease III APE	0.002	0.0418	0.2678
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0041	0.1043	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0041	0.1043	1
Leishmania major	carbonic anhydrase-like protein	0.0156	0.4491	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0605	0.575
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0786	0.0773
Plasmodium falciparum	protoporphyrinogen oxidase	0.0021	0.045	0.2816
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0534	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0021	0.045	0.0437
Entamoeba histolytica	Ran family GTPase	0.0023	0.0534	0.5121
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0018	0.0369	0.461
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0418	0.2615
Schistosoma mansoni	ap endonuclease	0.002	0.0418	0.0418
Schistosoma mansoni	hypothetical protein	0.0058	0.1563	0.1563
Loa Loa (eye worm)	hypothetical protein	0.0021	0.045	0.0437
Echinococcus multilocularis	carbonic anhydrase	0.0058	0.1563	0.1551
Trypanosoma brucei	carbonic anhydrase-like protein	0.0156	0.4491	1
Echinococcus granulosus	carbonic anhydrase	0.0058	0.1563	0.1551
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0156	0.4491	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0058	0.1563	0.1551
Schistosoma mansoni	inositol monophosphatase	0.0041	0.1043	0.1043
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0418	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0021	0.045	0.0437
Trichomonas vaginalis	DNA helicase recq, putative	0.0027	0.0626	0.5951
Trichomonas vaginalis	DNA helicase recq1, putative	0.0027	0.0626	0.5951
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0894	0.0894
Echinococcus granulosus	bloom syndrome protein	0.0027	0.0626	0.0614
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0021	0.045	0.2816
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0894	0.0882
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0021	0.045	0.045
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0021	0.045	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0021	0.045	0.0437
Mycobacterium ulcerans	dehydrogenase	0.0021	0.045	0.05
Schistosoma mansoni	carbonic anhydrase	0.0058	0.1563	0.1563
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0041	0.1043	0.6675
Toxoplasma gondii	HEAT repeat-containing protein	0.0006	0.0013	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0134	0.3824	0.3816
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0018	0.0363	0.2323
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0011	0.016	0.0147
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.016	0.1027
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0418	0.4011
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0534	0.3362
Leishmania major	GTP-binding protein, putative	0.0023	0.0534	0.1163
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.1043	0.1857
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0786	0.0773
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0257	0.2462
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0341	1	1
Schistosoma mansoni	amine oxidase	0.0021	0.045	0.045
Loa Loa (eye worm)	hypothetical protein	0.0011	0.016	0.0147
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0418	0.6903
Entamoeba histolytica	hypothetical protein	0.0036	0.0894	0.8569
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0257	0.0544
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0786	0.5027
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0605	0.0823
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.016	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1563	0.1551
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0534	0.1163
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0011	0.016	0.0147
Onchocerca volvulus		0.0021	0.045	0.5
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0058	0.1563	0.346
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.016	0.095
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.045	0.565
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0257	0.0544
Echinococcus multilocularis		0.0021	0.045	0.0437
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0021	0.045	0.0456
Brugia malayi	amine oxidase, flavin-containing family protein	0.0021	0.045	0.0975
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0021	0.045	0.2878
Schistosoma mansoni	blooms syndrome DNA helicase	0.0021	0.0459	0.0459
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.0916	1
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0786	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0894	0.0882
Schistosoma mansoni	amine oxidase	0.0021	0.045	0.045
Schistosoma mansoni	carbonic anhydrase-related	0.0058	0.1563	0.1563
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0418	0.3934
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.016	0.0329
Plasmodium falciparum	carbonic anhydrase	0.0058	0.1563	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0021	0.045	0.05
Mycobacterium ulcerans	monoamine oxidase	0.0021	0.045	0.05
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0058	0.1563	0.346
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0021	0.045	0.045
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.045	0.0628
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0534	0.3418
Echinococcus granulosus	inositol monophosphatase 1	0.0041	0.1043	0.1031
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0011	0.016	0.0147
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0021	0.045	0.05
Brugia malayi	SWIRM domain containing protein	0.0021	0.045	0.0975
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0021	0.045	0.0437
Schistosoma mansoni	hypothetical protein	0.0341	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.045	0.0437
Echinococcus multilocularis	carbonic anhydrase	0.0058	0.1563	0.1551
Echinococcus granulosus	carbonic anhydrase	0.0058	0.1563	0.1551
Brugia malayi	Inositol-1	0.0041	0.1043	0.23
Schistosoma mansoni	carbonic anhydrase-related	0.0058	0.1563	0.1563
Echinococcus multilocularis	carbonic anhydrase II	0.0156	0.4491	0.4483
Schistosoma mansoni	hypothetical protein	0.0036	0.0894	0.0894
Echinococcus multilocularis	snurportin 1	0.0341	1	1
Schistosoma mansoni	ap endonuclease	0.002	0.0418	0.0418
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0605	0.575
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.1043	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0021	0.045	0.2878
Entamoeba histolytica	HEAT repeat domain containing protein	0.0006	0.0013	0.0127
Mycobacterium tuberculosis	Possible oxidoreductase	0.0021	0.045	0.0628
Schistosoma mansoni	inositol monophosphatase	0.0041	0.1043	0.1043
Entamoeba histolytica	hypothetical protein	0.0036	0.0894	0.8569
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0021	0.045	0.0437
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.045	0.565
Echinococcus granulosus	carbonic anhydrase II	0.0156	0.4491	0.4483
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0534	0.0521
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.016	0.1027
Brugia malayi	RNA, U transporter 1	0.0091	0.2541	0.5646
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0418	0.3934
Echinococcus multilocularis	bloom syndrome protein	0.0027	0.0626	0.0614
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0534	0.1163
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0418	0.5246
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1563	0.1551
Toxoplasma gondii	hypothetical protein	0.0058	0.1563	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0418	0.0905
Echinococcus multilocularis	inositol monophosphatase 1	0.0041	0.1043	0.1031
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.1043	0.23
Loa Loa (eye worm)	hypothetical protein	0.0021	0.045	0.0437
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0023	0.053	0.3333
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0058	0.1563	0.346
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0021	0.045	0.5
Loa Loa (eye worm)	RecQ helicase	0.0027	0.0626	0.0614
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0418	0.0382
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0156	0.4491	1
Brugia malayi	hypothetical protein	0.0021	0.045	0.0975
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0786	0.1725
Echinococcus multilocularis	carbonic anhydrase	0.0058	0.1563	0.1551
Brugia malayi	hypothetical protein	0.0036	0.0894	0.1966
Brugia malayi	Importin beta-1 subunit	0.0032	0.0786	0.1725
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0156	0.4491	0.4483
Schistosoma mansoni	DNA helicase recq5	0.0011	0.016	0.016
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.1043	0.23
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0036	0.0916	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0534	0.0521
Brugia malayi	Bloom's syndrome protein homolog	0.0027	0.0626	0.1368
Plasmodium falciparum	importin beta, putative	0.0032	0.0786	0.4984
Loa Loa (eye worm)	inositol-1	0.0041	0.1043	0.1031
Entamoeba histolytica	hypothetical protein	0.0036	0.0894	0.8569
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0534	1
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0605	0.575
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0156	0.4491	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0041	0.1043	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0156	0.4491	0.4491
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0021	0.045	0.05
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0418	0.0406
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0418	0.0382
Schistosoma mansoni	carbonic anhydrase-related	0.0058	0.1563	0.1563
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0534	0.0655
Loa Loa (eye worm)	carbonic anhydrase 3	0.0156	0.4491	0.4483
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.1043	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0011	0.016	0.0147
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0021	0.045	0.0437
Schistosoma mansoni	importin-beta 2	0.0006	0.0013	0.0013
Schistosoma mansoni	ran	0.0023	0.0534	0.0534
Schistosoma mansoni	DNA helicase recq1	0.0011	0.016	0.016
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0021	0.045	0.0437
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0786	0.1725
Schistosoma mansoni	ran	0.0023	0.0534	0.0534
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0021	0.045	0.565
Leishmania major	UDP-galactopyranose mutase	0.0021	0.045	0.0975
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0418	1
Mycobacterium ulcerans	oxidoreductase	0.0021	0.045	0.05
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0605	0.1322
Trichomonas vaginalis	DNA helicase recq, putative	0.0014	0.0257	0.2364
Entamoeba histolytica	hypothetical protein	0.0036	0.0894	0.8569
Schistosoma mansoni	importin beta-1	0.0032	0.0786	0.0786
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0021	0.045	0.2816
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0021	0.045	0.565
Schistosoma mansoni	hypothetical protein	0.0051	0.1358	0.1358
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0058	0.1563	0.346
Trichomonas vaginalis	ran, putative	0.0023	0.0534	0.5058
Entamoeba histolytica	hypothetical protein	0.0026	0.0605	0.5805
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0534	0.0521
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0418	0.0905
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.1043	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.016	0.0147
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.1043	0.1857

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 41 %	Inhibition of Plasmodium falciparum CQ-resistant strain FcB1 growth at 1 uM	ChEMBL.	16263280
Inhibition (functional)	= 41 %	Inhibition of Plasmodium falciparum CQ-resistant strain FcB1 growth at 1 uM	ChEMBL.	16263280

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 348252