TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 260.245 | Formula: C13H12N2O4
H donors: 2 H acceptors: 4 LogP: 0.38 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCC(C(=O)N1)N1Cc2c(C1=O)c(O)ccc2
InChi: 1S/C13H12N2O4/c16-9-3-1-2-7-6-15(13(19)11(7)9)8-4-5-10(17)14-12(8)18/h1-3,8,16H,4-6H2,(H,14,17,18)
InChiKey: ZHINEOZMGPJDNM-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 brucei	beta tubulin	0.0476	0.376	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0391	0.2768	0.2674
Schistosoma mansoni	tubulin subunit beta	0.0476	0.376	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0476	0.376	0.5476
Giardia lamblia	Alpha-tubulin	0.0391	0.2768	0.5854
Echinococcus granulosus	Tubulin beta 2C chain	0.0476	0.376	0.3678
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0476	0.376	0.3678
Schistosoma mansoni	alpha tubulin	0.0391	0.2768	0.7271
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0339	0.2163	0.3574
Leishmania major	beta tubulin	0.0476	0.376	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0391	0.2768	0.2674
Schistosoma mansoni	tubulin subunit beta	0.0476	0.376	1
Giardia lamblia	Beta tubulin	0.0476	0.376	1
Echinococcus multilocularis	beta tubulin	0.0476	0.376	0.3678
Giardia lamblia	Alpha-tubulin	0.0391	0.2768	0.5854
Plasmodium vivax	tubulin alpha chain, putative	0.0391	0.2768	0.5854
Echinococcus granulosus	Tubulin beta 2C chain	0.0476	0.376	0.3678
Trypanosoma brucei	alpha tubulin	0.0391	0.2768	0.7364
Trypanosoma brucei	beta tubulin	0.0271	0.1369	0.3641
Onchocerca volvulus	Matrilysin homolog	0.0278	0.1457	0.2696
Echinococcus multilocularis	tubulin beta 1 chain	0.0476	0.376	0.3678
Leishmania major	beta tubulin	0.0476	0.376	1
Brugia malayi	alpha-tubulin	0.0391	0.2768	0.4574
Loa Loa (eye worm)	hypothetical protein	0.0339	0.2163	0.2326
Onchocerca volvulus		0.0395	0.2811	0.5202
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.2768	0.2674
Toxoplasma gondii	beta-tubulin, putative	0.0476	0.376	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0238	0.0984	0.2618
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0391	0.2768	0.7364
Trypanosoma brucei	alpha tubulin	0.0391	0.2768	0.7364
Echinococcus multilocularis	Tubulin beta 2C chain	0.0476	0.376	0.3678
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Giardia lamblia	Beta tubulin	0.0476	0.376	1
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1399	0.0819
Echinococcus multilocularis	hypothetical protein	0.0391	0.2768	0.2674
Echinococcus granulosus	tubulin alpha chain	0.0391	0.2768	0.2674
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.2768	0.2674
Loa Loa (eye worm)	BEN-1 protein	0.0476	0.376	0.5476
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Brugia malayi	Tubulin alpha-2 chain	0.0391	0.2768	0.4574
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Echinococcus granulosus	tubulin alpha chain	0.0391	0.2768	0.2674
Toxoplasma gondii	alpha-tubulin I, putative	0.0391	0.2768	0.5854
Toxoplasma gondii	beta tubulin	0.0476	0.376	1
Entamoeba histolytica	tubulin family protein	0.0476	0.376	1
Brugia malayi	Tubulin alpha-2 chain	0.0391	0.2768	0.4574
Schistosoma mansoni	tubulin subunit epsilon	0.0271	0.1369	0.3417
Brugia malayi	tubulin alpha-2 chain	0.0391	0.2768	0.4574
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0476	0.376	1
Trypanosoma brucei	beta tubulin	0.0476	0.376	1
Brugia malayi	Matrixin family protein	0.0278	0.1457	0.2407
Loa Loa (eye worm)	tubulin beta chain	0.0476	0.376	0.5476
Echinococcus multilocularis	peroxisome assembly protein 26	0.0391	0.2768	0.2674
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0273	0.1399	0.3722
Schistosoma mansoni	tubulin subunit beta	0.0476	0.376	1
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.2768	0.2674
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Toxoplasma gondii	beta-1 tubulin, putative	0.0476	0.376	1
Trypanosoma brucei	alpha tubulin	0.0391	0.2768	0.7364
Brugia malayi	Hemopexin family protein	0.0395	0.2811	0.4645
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Leishmania major	beta tubulin	0.0476	0.376	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.2768	0.7364
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Loa Loa (eye worm)	tubulin beta-1 chain	0.0476	0.376	0.5476
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0476	0.376	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.2768	0.7364
Plasmodium falciparum	alpha tubulin 2	0.0391	0.2768	0.5854
Trichomonas vaginalis	tubulin alpha chain, putative	0.0476	0.376	1
Echinococcus granulosus	tubulin alpha	0.0271	0.1369	0.1257
Leishmania major	beta tubulin	0.0476	0.376	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0391	0.2768	0.2674
Trichomonas vaginalis	tubulin beta chain, putative	0.0476	0.376	1
Leishmania major	beta tubulin	0.0476	0.376	1
Trypanosoma brucei	beta tubulin	0.0476	0.376	1
Schistosoma mansoni	tubulin subunit alpha	0.0391	0.2768	0.7271
Echinococcus multilocularis	Tubulin beta 2C chain	0.0476	0.376	0.3678
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Brugia malayi	Tubulin gamma chain	0.0271	0.1369	0.2262
Echinococcus granulosus	beta tubulin	0.0476	0.376	0.3678
Trypanosoma brucei	alpha tubulin	0.0391	0.2768	0.7364
Echinococcus granulosus	tubulin subunit TubB	0.0391	0.2768	0.2674
Echinococcus granulosus	Tubulin alpha 1 chain	0.0391	0.2768	0.2674
Schistosoma mansoni	tubulin subunit beta	0.0476	0.376	1
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Leishmania major	beta tubulin	0.0476	0.376	1
Loa Loa (eye worm)	BEN-1 protein	0.0476	0.376	0.5476
Loa Loa (eye worm)	hypothetical protein	0.0278	0.1457	0.0932
Leishmania major	beta tubulin	0.0476	0.376	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0273	0.1399	0.0819
Echinococcus multilocularis	beta tubulin	0.0476	0.376	0.3678
Echinococcus granulosus	Tubulin alpha 1 chain	0.0391	0.2768	0.2674
Loa Loa (eye worm)	tubulin gamma chain	0.0271	0.1369	0.0759
Entamoeba histolytica	tubulin alpha-1 chain	0.0391	0.2768	0.5854
Trichomonas vaginalis	tubulin gamma chain, putative	0.0271	0.1369	0.3641
Brugia malayi	beta-tubulin, identical	0.0476	0.376	0.6212
Loa Loa (eye worm)	hypothetical protein	0.0278	0.1457	0.0932
Leishmania major	beta tubulin	0.0476	0.376	1
Brugia malayi	Tubulin beta-1 chain	0.0476	0.376	0.6212
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0617	0.5404	1
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.2768	0.2674
Brugia malayi	Matrixin family protein	0.0278	0.1457	0.2407
Echinococcus granulosus	tubulin alpha 3 chain	0.0391	0.2768	0.2674
Schistosoma mansoni	tubulin subunit beta	0.0476	0.376	1
Echinococcus granulosus	alpha tubulin	0.0391	0.2768	0.2674
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0391	0.2768	0.2674
Toxoplasma gondii	alpha tubulin TUBA1	0.0391	0.2768	0.5854
Plasmodium vivax	tubulin alpha chain, putative	0.0391	0.2768	0.5854
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.2768	0.7364
Echinococcus granulosus	beta tubulin	0.0476	0.376	0.3678
Brugia malayi	Matrixin family protein	0.0278	0.1457	0.2407
Loa Loa (eye worm)	matrixin family protein	0.0673	0.6053	1
Leishmania major	beta tubulin	0.0476	0.376	1
Trypanosoma brucei	epsilon tubulin	0.0271	0.1369	0.3641
Echinococcus multilocularis	tubulin alpha chain	0.0391	0.2768	0.2674
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0391	0.2768	0.7364
Giardia lamblia	Beta tubulin	0.0476	0.376	1
Schistosoma mansoni	tubulin subunit beta	0.0476	0.376	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0476	0.376	0.5476
Echinococcus granulosus	Tubulin alpha 1 chain	0.0391	0.2768	0.2674
Loa Loa (eye worm)	tubulin alpha 2	0.0273	0.1399	0.0819
Schistosoma mansoni	tubulin subunit gamma	0.0271	0.1369	0.3417
Echinococcus multilocularis	tubulin alpha 1C chain	0.0391	0.2768	0.2674
Echinococcus granulosus	Tubulin beta 2C chain	0.0476	0.376	0.3678
Echinococcus multilocularis	tubulin alpha	0.0271	0.1369	0.1257
Echinococcus granulosus	tubulin gamma 1 chain	0.0271	0.1369	0.1257
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0189	0.0415	0.079
Schistosoma mansoni	alpha tubulin	0.0391	0.2768	0.7271
Mycobacterium leprae	PROBABLE HYDROLASE	0.0339	0.2163	0.5
Leishmania major	beta tubulin	0.0476	0.376	1
Plasmodium falciparum	alpha tubulin 1	0.0391	0.2768	0.5854
Plasmodium vivax	tubulin beta chain, putative	0.0476	0.376	1
Trypanosoma brucei	epsilon tubulin	0.0271	0.1369	0.3641
Schistosoma mansoni	tubulin subunit alpha	0.0391	0.2768	0.7271
Trypanosoma brucei	epsilon tubulin	0.0271	0.1369	0.3641
Leishmania major	beta tubulin	0.0476	0.376	1
Brugia malayi	tubulin alpha chain - mouse	0.0391	0.2768	0.4574
Brugia malayi	Tubulin alpha chain	0.0391	0.2768	0.4574
Trichomonas vaginalis	tubulin gamma chain, putative	0.0271	0.1369	0.3641
Trypanosoma brucei	beta tubulin	0.0476	0.376	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0391	0.2768	0.2674
Loa Loa (eye worm)	tubulin alpha chain	0.0391	0.2768	0.352
Echinococcus multilocularis	Tubulin beta 2C chain	0.0476	0.376	0.3678
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.2768	0.7364
Entamoeba histolytica	tubulin family protein	0.0476	0.376	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0476	0.376	0.3678
Loa Loa (eye worm)	matrixin family protein	0.0617	0.5404	0.8721
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0391	0.2768	0.2674
Leishmania major	beta tubulin	0.0476	0.376	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0391	0.2768	0.7364
Echinococcus multilocularis	tubulin epsilon chain	0.0271	0.1369	0.1257
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Schistosoma mansoni	tubulin subunit alpha	0.0391	0.2768	0.7271
Brugia malayi	Matrixin family protein	0.0673	0.6053	1
Onchocerca volvulus		0.0278	0.1457	0.2696
Leishmania major	alpha tubulin	0.0391	0.2768	0.5854
Echinococcus multilocularis	tubulin alpha 1C chain	0.0391	0.2768	0.2674
Trichomonas vaginalis	tubulin alpha chain, putative	0.0271	0.1369	0.3641
Loa Loa (eye worm)	hypothetical protein	0.0278	0.1457	0.0932
Loa Loa (eye worm)	beta-tubulin	0.0476	0.376	0.5476
Echinococcus granulosus	tubulin alpha chain	0.0391	0.2768	0.2674
Loa Loa (eye worm)	alpha-tubulin	0.0391	0.2768	0.352
Trypanosoma cruzi	alpha tubulin, putative	0.0391	0.2768	0.5854
Leishmania major	beta tubulin	0.0476	0.376	1
Mycobacterium ulcerans	hydrolase	0.0339	0.2163	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0476	0.376	0.3678
Trypanosoma cruzi	beta tubulin, putative	0.0476	0.376	1
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0278	0.1457	0.3659
Echinococcus granulosus	peroxisome assembly protein 26	0.0391	0.2768	0.2674
Echinococcus multilocularis	tubulin subunit TubB	0.0391	0.2768	0.2674
Trichomonas vaginalis	tubulin gamma chain, putative	0.0476	0.376	1
Loa Loa (eye worm)	tubulin alpha chain	0.0391	0.2768	0.352
Echinococcus granulosus	Tubulin beta 2C chain	0.0476	0.376	0.3678
Echinococcus multilocularis	Tubulin beta 2C chain	0.0476	0.376	0.3678
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.2768	0.7364
Echinococcus multilocularis	tubulin gamma 1 chain	0.0271	0.1369	0.1257
Loa Loa (eye worm)	alpha-tubulin	0.0391	0.2768	0.352
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0339	0.2163	0.5
Onchocerca volvulus	Matrilysin homolog	0.0617	0.5404	1
Brugia malayi	Matrixin family protein	0.0278	0.1457	0.2407
Echinococcus granulosus	tubulin subunit beta	0.0476	0.376	0.3678
Leishmania major	beta tubulin	0.0476	0.376	1
Loa Loa (eye worm)	tubulin alpha 2	0.0273	0.1399	0.0819
Echinococcus granulosus	tubulin beta 1 chain	0.0476	0.376	0.3678
Trypanosoma brucei	tubulin gamma chain	0.0271	0.1369	0.3641
Schistosoma mansoni	alpha tubulin	0.0391	0.2768	0.7271
Entamoeba histolytica	tubulin alpha chain, putative	0.0391	0.2768	0.5854
Leishmania major	beta tubulin	0.0476	0.376	1
Trichomonas vaginalis	tubulin, putative	0.0476	0.376	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0391	0.2768	0.7364
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0391	0.2768	0.352
Leishmania major	beta tubulin	0.0476	0.376	1
Echinococcus multilocularis	tubulin subunit beta	0.0476	0.376	0.3678
Loa Loa (eye worm)	hypothetical protein	0.0391	0.2768	0.352
Schistosoma mansoni	hypothetical protein	0.0395	0.2811	0.7389
Echinococcus multilocularis	tubulin alpha 3 chain	0.0391	0.2768	0.2674
Leishmania major	beta tubulin	0.0476	0.376	1
Echinococcus granulosus	tubulin epsilon chain	0.0271	0.1369	0.1257
Echinococcus granulosus	tubulin alpha chain	0.0391	0.2768	0.2674
Echinococcus granulosus	tubulin alpha chain	0.0391	0.2768	0.2674
Plasmodium falciparum	tubulin beta chain	0.0476	0.376	1
Leishmania major	beta tubulin	0.0476	0.376	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0391	0.2768	0.2674
Echinococcus granulosus	tubulin beta 4A class IVa	0.0476	0.376	0.3678
Loa Loa (eye worm)	matrix metalloproteinase	0.0278	0.1457	0.0932

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 1 uM	Inhibition of TNF-alpha production in LPS-stimulated human PBMC preincubated for 1 hr before LPS challenge measured after 28 to 20 hrs by ELISA	ChEMBL.	23168019

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23168019

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: CHEMBL2324704

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 1724882