TDR Targets

Basic information

Technical information

TDR Targets ID: 912093
Name: 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbox ylic acid
MW: 317.295 | Formula: C19H11NO4
H donors: 1 H acceptors: 4 LogP: 3.23 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccc2
InChi: 1S/C19H11NO4/c21-17-14-9-8-12(19(23)24)10-15(14)18(22)20(17)16-7-3-5-11-4-1-2-6-13(11)16/h1-10H,(H,23,24)
InChiKey: MUEIEJNZVKFKKO-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

2-(1-naphthyl)-1,3-dioxo-isoindoline-5-carboxylic acid
2-(1-naphthyl)-1,3-dioxo-5-isoindolinecarboxylic acid
1,3-diketo-2-(1-naphthyl)isoindoline-5-carboxylic acid
2-naphthalen-1-yl-1,3-dioxo-isoindole-5-carboxylic acid
Oprea1_588467
ST009472

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutaminase	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352

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
Onchocerca volvulus		0.0001	0.0000000014431	0.5
Schistosoma mansoni	26S proteasome subunit	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	serine/threonine-protein kinase ripk4, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.4759	1	1
Trichomonas vaginalis	serine threonine-protein kinase, putative	0.0021	0.0041	0.0596
Brugia malayi	Muscleblind-like protein	0.018	0.0377	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0.0001	0.0018
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.4759	1	1
Loa Loa (eye worm)	glutaminase 2	0.033	0.0692	0.0692
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.0000000014431	0.000000020862
Mycobacterium ulcerans	glutaminase	0.033	0.0692	0.5
Giardia lamblia	Kinase, NEK	0.0001	0	1
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0001	0.0000000014431	0.000000020862
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.177	0.3717	0.3717
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus granulosus	serine:threonine protein kinase:endoribonuclease	0.0021	0.0041	0.0041
Trichomonas vaginalis	multiple ankyrin repeats single kh domain protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Giardia lamblia	Protein 21.1	0.0001	0.0000000014431	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0001	0.0000000014431	0.0000000014431
Loa Loa (eye worm)	hypothetical protein	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ion channel nompc, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-rich membrane-spanning protein, putative	0.0001	0.0000000014431	0.000000020862
Loa Loa (eye worm)	glutaminase	0.033	0.0692	0.0692
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	fetal globin-inducing factor, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus granulosus	tankyrase	0.0001	0.0000000014431	0.0000000014431
Echinococcus granulosus	Ankyrin	0.0001	0.0000000014431	0.0000000014431
Loa Loa (eye worm)	hypothetical protein	0.018	0.0377	0.0377
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.4759	1	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.0377	0.0377
Giardia lamblia	Kinase, NEK-frag	0.0001	0	1
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.177	0.3717	0.3717
Schistosoma mansoni	glutaminase	0.033	0.0692	0.0692
Trichomonas vaginalis	cortactin-binding protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-rich membrane-spanning protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus multilocularis	ankyrin repeat domain containing protein 6	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.0000000014431	0.000000020862
Leishmania major		0.4759	1	1
Loa Loa (eye worm)	tnks protein	0.0001	0.0000000014431	0.0000000014431
Brugia malayi	glutaminase DH11.1	0.0331	0.0694	0.0694
Giardia lamblia	Kinase, NEK	0.0001	0	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus multilocularis	muscleblind protein 1	0.018	0.0377	0.0377
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	glutaminase, putative	0.033	0.0692	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Leishmania major	ankyrin/TPR repeat protein	0.0001	0.0000000014431	0.0000000014431
Echinococcus multilocularis	Ankyrin	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	tankyrase, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	26S proteasome non-ATPase regulatory subunit, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Loa Loa (eye worm)	hypothetical protein	0.0001	0.0000000014431	0.0000000014431
Toxoplasma gondii	fructose-bisphospatase II	0.4759	1	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus granulosus	Ankyrin	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.4759	1	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0001	0.0018
Echinococcus multilocularis	muscleblind protein	0.018	0.0377	0.0377
Trichomonas vaginalis	E3 ubiquitin protein ligase, putative	0.0001	0.0000000014431	0.000000020862
Loa Loa (eye worm)	hypothetical protein	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0001	0.0000000014431	0.000000020862
Loa Loa (eye worm)	IRE protein kinase	0.0021	0.0041	0.0041
Toxoplasma gondii	fructose-bisphospatase I	0.177	0.3717	0.3717
Schistosoma mansoni	ga binding protein beta chain (transcription factor e4tf1-47)	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus granulosus	26S proteasome non ATPase regulatory subunit 10	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	multiple ankyrin repeats single kh domain protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	TKL family protein kinase	0.0001	0	0.0004
Trypanosoma cruzi	ankyrin repeat protein, putative	0.0001	0.0000000014431	0.0000000014431
Giardia lamblia	Kinase, NEK	0.0001	0	1
Schistosoma mansoni	tankyrase	0.0001	0.0000000014431	0.0000000014431
Echinococcus multilocularis	serine:threonine protein kinase:endoribonuclease	0.0021	0.0041	0.0041
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Entamoeba histolytica	protein kinase, putative	0.0021	0.0041	1
Trichomonas vaginalis	cask-interacting protein (caskin) 1,2, putative	0.0001	0.0000000014431	0.000000020862
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.177	0.3717	0.3717
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.4759	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0001	0.0000000014431	0.000000020862
Schistosoma mansoni	ankyrin 23/unc44	0.0001	0.0000000014431	0.0000000014431
Giardia lamblia	Protein 21.1	0.0001	0.0000000014431	0.0001
Trichomonas vaginalis	ion channel nompc, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0041	0.0041
Trichomonas vaginalis	inversin, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ion channel nompc, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	sex-determining protein fem-1, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.4759	1	1
Entamoeba histolytica	protein kinase, putative	0.0021	0.0041	1
Leishmania major	hypothetical protein, conserved	0.0001	0.0000000014431	0.0000000014431
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.4759	1	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus multilocularis	Ankyrin	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Giardia lamblia	Kinase, NEK	0.0001	0	1
Giardia lamblia	Ankyrin 1	0.0001	0.0000000014431	0.0001
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12B, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ion channel nompc, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Echinococcus granulosus	muscleblind protein	0.018	0.0377	0.0377
Trichomonas vaginalis	ankyrin repeat and sam domain-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat domain-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	fibronectin type 3 and ankyrin repeat domains, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0041	0.0596
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.177	0.3717	0.3717
Echinococcus multilocularis	26S proteasome non ATPase regulatory subunit 10	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	rolling pebbles, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0000000014431	0.000000020862
Trypanosoma brucei	Ankyrin repeats (many copies), putative	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	homeobox-containing protein wariai, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	nf kappa B inhibitor I-kappa-B, putative	0.0001	0.0000000014431	0.000000020862
Entamoeba histolytica	ankyrin repeat protein, putative	0.0001	0.0000000014431	0.00000034796
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	mind bomb, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0002	0.0001	0.0018
Schistosoma mansoni	phospholipase	0.0001	0.0000000014431	0.0000000014431
Brugia malayi	Ribonuclease 2-5A family protein	0.0021	0.0041	0.0041
Echinococcus multilocularis	tankyrase	0.0001	0.0000000014431	0.0000000014431
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0000000014431	0.000000020862
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0001	0.0000000014431	0.000000020862

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8275 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	17.7828 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.7865 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1581505
Search by Saint Jude

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 912093