TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 287.267 | Formula: C15H13NO5
H donors: 3 H acceptors: 4 LogP: 2.56 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1cc(ccc1O)/N=C/c1cc(O)ccc1O
InChi: 1S/C15H13NO5/c1-21-15(20)12-7-10(2-4-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-8,17-19H,1H3/b16-8+
InChiKey: FTURZEQDGNNETP-LZYBPNLTSA-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
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0369	0.2402
Schistosoma mansoni	hypothetical protein	0.0102	0.1536	1
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0241	0.0961
Toxoplasma gondii	RNA-directed DNA polymerase	0.0169	0.2636	0.5656
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0379	0.2469
Schistosoma mansoni	protein kinase	0.0031	0.0379	0.2469
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0386	0.1973
Onchocerca volvulus		0.0014	0.0103	0.0103
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0452	0.1377
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0241	0.0308
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0386	0.1116
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0164	0.2564	0.3595
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Onchocerca volvulus		0.0014	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Onchocerca volvulus		0.0014	0.0103	0.0103
Echinococcus granulosus	General substrate transporter	0.0087	0.1302	0.8474
Echinococcus multilocularis	General substrate transporter	0.0087	0.1302	0.8474
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0103	0.2954
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0195	0.0641
Leishmania major	telomerase reverse transcriptase, putative	0.0169	0.2636	1
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0386	0.1973
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0103	0.2954
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0386	0.1973
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0369	0.105
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.038	0.0404
Schistosoma mansoni	protein kinase	0.0031	0.0379	0.2469
Echinococcus granulosus	solute carrier family 22	0.0014	0.0103	0.0671
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0386	0.1973
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0103	0.0143
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0103	0.5
Mycobacterium ulcerans	sugar transporter	0.0014	0.0103	0.2954
Onchocerca volvulus		0.0014	0.0103	0.0103
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.038	0.0404
Plasmodium falciparum	telomerase reverse transcriptase	0.0169	0.2636	0.3701
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0369	0.2402
Schistosoma mansoni	glucose transporter	0.0014	0.0103	0.0671
Onchocerca volvulus		0.0014	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Brugia malayi	Sugar transporter family protein	0.0014	0.0103	0.0143
Brugia malayi	Sugar transporter family protein	0.0102	0.1536	0.2124
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0074	0.0482
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0379	0.2469
Brugia malayi	major facilitator superfamily protein	0.0014	0.0103	0.0143
Brugia malayi	Cam kinase protein 1	0.0031	0.0379	0.0524
Leishmania major	glucose transporter, lmgt1	0.0032	0.0386	0.1116
Echinococcus granulosus	solute carrier family 22	0.0014	0.0103	0.0671
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0241	0.1568
Giardia lamblia	Telomerase catalytic subunit	0.0169	0.2636	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.038	0.0404
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0241	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0369	0.9253
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0241	0.3046
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.038	0.0617
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0386	0.1116
Schistosoma mansoni	protein kinase	0.0031	0.0379	0.2469
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0185	1
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0386	0.1116
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.038	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0452	0.1377
Schistosoma mansoni	sugar transporter	0.0014	0.0103	0.0671
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0241	0.0333
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0386	0.1973
Entamoeba histolytica	protein kinase, putative	0.0031	0.0379	1
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0369	0.2402
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Onchocerca volvulus		0.0014	0.0103	0.0103
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0386	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0014	0.0103	0.0671
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.1536	0.3201
Leishmania major	protein kinase, putative	0.0031	0.0379	0.1091
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0386	0.1116
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.038	0.0404
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0169	0.2636	0.3701
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.038	0.0617
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Plasmodium vivax	hexose transporter	0.0102	0.1536	0.2094
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0185	1
Leishmania major	glucose transporter, lmgt2	0.0032	0.0386	0.1116
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0103	0.2954
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0386	0.1116
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0241	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0169	0.2636	1
Brugia malayi	hypothetical protein	0.0014	0.0103	0.0143
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0241	0.1568
Trypanosoma brucei	telomerase reverse transcriptase	0.0169	0.2636	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.038	0.0404
Plasmodium falciparum	protein kinase 7	0.0288	0.4581	0.6542
Onchocerca volvulus		0.0014	0.0103	0.0103
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0103	0.0671
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0369	0.051
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0103	0.0143
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0103	0.0671
Echinococcus granulosus	synaptic vesicle 2 protein	0.0014	0.0103	0.0671
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0169	0.2636	1
Echinococcus granulosus	solute carrier family 22	0.0014	0.0103	0.0671
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0348	0.2263
Onchocerca volvulus		0.0014	0.0103	0.0103
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0014	0.0103	0.0671
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0103	0.0671
Onchocerca volvulus		0.0014	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.038	0.0404
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0164	0.2564	0.3595
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0379	0.2469
Schistosoma mansoni	glucose transport protein	0.0102	0.1536	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0386	0.1116
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0369	0.2402
Leishmania major	glucose transporter, lmgt3	0.0032	0.0386	0.1116
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.1536	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0452	0.0779
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.038	0.0617
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Brugia malayi	major facilitator superfamily protein	0.0014	0.0103	0.0143
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0241	0.0544
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0241	0.0201
Brugia malayi	Sugar transporter family protein	0.0014	0.0103	0.0143
Schistosoma mansoni	sugar transporter	0.0014	0.0103	0.0671
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.1536	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0241	0.1568
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0386	0.1116
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0369	0.2402
Plasmodium falciparum	hexose transporter	0.0102	0.1536	0.2094
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0348	0.2263
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0241	0.0201
Entamoeba histolytica	protein kinase, putative	0.0031	0.0379	1
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0369	0.051
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0241	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0103	0.0671
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0379	0.2469
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0386	0.1116
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0379	0.1927
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0452	0.1377
Onchocerca volvulus		0.0014	0.0103	0.0103
Brugia malayi	hypothetical protein	0.0014	0.0103	0.0143
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0452	0.1377
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0452	0.051
Loa Loa (eye worm)	sugar transporter	0.0014	0.0103	0.0671
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0386	0.1116
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0241	0.1568
Brugia malayi	hypothetical protein	0.0014	0.0103	0.0143
Trypanosoma cruzi	hexose transporter	0.0032	0.0386	0.1116
Schistosoma mansoni	sugar transporter	0.0014	0.0103	0.0671
Onchocerca volvulus		0.0014	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Onchocerca volvulus	Putative transporter	0.0014	0.0103	0.0103
Onchocerca volvulus		0.0014	0.0103	0.0103
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0369	0.2402
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0275	0.1791
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0386	0.1116
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.038	0.0404
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0379	0.2469
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0379	0.1091
Onchocerca volvulus		0.0014	0.0103	0.0103
Schistosoma mansoni	glucose transport protein	0.0102	0.1536	1
Onchocerca volvulus		0.0014	0.0103	0.0103
Onchocerca volvulus		0.0014	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0103	0.0671
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0452	0.051
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0164	0.2564	0.5495
Echinococcus granulosus	solute carrier family 22	0.0014	0.0103	0.0671
Schistosoma mansoni	sugar transporter	0.0014	0.0103	0.0671
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0241	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0379	0.2469
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0151	0.019
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0014	0.0103	0.0671
Brugia malayi	Telomerase reverse transcriptase	0.0449	0.7233	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.038	0.0404
Plasmodium falciparum	protein kinase 6	0.0432	0.6947	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0103	0.0671
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1536	1
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0432	0.6947	1
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0241	0.0544
Toxoplasma gondii	protein kinase, putative	0.0288	0.4581	1
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0241	0.1568
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0103	0.0143
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0369	1
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0241	0.0544
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0452	0.1377
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0386	0.1973
Loa Loa (eye worm)	sugar transporter	0.0102	0.1536	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0369	0.1855
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0103	0.0671
Onchocerca volvulus		0.0014	0.0103	0.0103
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0103	0.0671
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0379	0.0524
Schistosoma mansoni	glucose transport protein	0.0102	0.1536	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0 uM	Inhibition of EGF-stimulated DNA synthesis in ER 22 (EGF-receptor expressing) cells (Not tested)	ChEMBL.	8145236
IC50 (binding)	= 100 uM	Inhibition of tyrosine kinase activity in ER 22 membrane fraction by competition with the RRSrc peptide using [32P]-gamma ATP as radioligand	ChEMBL.	8258833
Inhibition (functional)	= 56 %	Inhibition of EGF-Receptor in ER 22 cell membrane at 100 uM	ChEMBL.	8145236
Inhibition (functional)	= 56 %	Inhibition of EGF-Receptor in ER 22 cell membrane at 100 uM	ChEMBL.	8145236

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: CHEMBL133758

Bibliographic References

2 literature references were 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 229734