TDR Targets

Basic information

Technical information

TDR Targets ID: 1648507
Name: 2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl] -5,6-dimethoxyisoindole-1,3-dione
MW: 422.431 | Formula: C23H22N2O6
H donors: 1 H acceptors: 4 LogP: 2.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC1(CCC(=O)NC1=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(c(c2)OC)OC
InChi: 1S/C23H22N2O6/c1-4-23(10-9-19(26)24-22(23)29)13-5-7-14(8-6-13)25-20(27)15-11-17(30-2)18(31-3)12-16(15)21(25)28/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,26,29)
InChiKey: IJZDYZZLCBGYIV-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-[4-(3-ethyl-2,6-dioxo-3-piperidyl)phenyl]-5,6-dimethoxy-isoindoline-1,3-dione
2-[4-(3-ethyl-2,6-dioxo-3-piperidinyl)phenyl]-5,6-dimethoxyisoindoline-1,3-dione
2-[4-(3-ethyl-2,6-diketo-3-piperidyl)phenyl]-5,6-dimethoxy-isoindoline-1,3-quinone
2-[4-(3-ethyl-2,6-dioxo-piperidin-3-yl)phenyl]-5,6-dimethoxy-isoindole-1,3-dione
NSC663901
NCI60_021934

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
Leishmania major	hypothetical protein, conserved	0.0521	0.3438	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0163	0.0163
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0521	0.3438	1
Loa Loa (eye worm)	hypothetical protein	0.0521	0.3438	0.3438
Echinococcus multilocularis	SWI:SNF matrix associated	0.1463	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0037	0.0037
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0521	0.3438	0.3438
Brugia malayi	brahma associated protein 60 kDa	0.1463	1	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0521	0.3438	0.3438
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0037	0.0037
Toxoplasma gondii	ran binding protein	0.0521	0.3438	0.3438
Echinococcus multilocularis	jumonji domain containing protein	0.0044	0.0124	0.0124
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0521	0.3438	0.3438
Leishmania major	hypothetical protein, conserved	0.0521	0.3438	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0084	0.0084
Schistosoma mansoni	hypothetical protein	0.0185	0.1103	0.1103
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1463	1	1
Onchocerca volvulus		0.0521	0.3438	0.3438
Echinococcus granulosus	SWI:SNF matrix associated	0.1463	1	1
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1463	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0521	0.3438	1
Trypanosoma brucei	hypothetical protein, conserved	0.0521	0.3438	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0521	0.3438	0.3438
Leishmania major	hypothetical protein, conserved	0.0521	0.3438	1
Schistosoma mansoni	hypothetical protein	0.0185	0.1103	0.1103
Trypanosoma cruzi	WLM domain containing protein, putative	0.0521	0.3438	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0084	0.0084
Onchocerca volvulus		0.1463	1	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0032	0.0037	0.0037
Brugia malayi	jmjC domain containing protein	0.0039	0.0084	0.0084
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0521	0.3438	1
Echinococcus multilocularis	geminin	0.0185	0.1103	0.1103
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0163	0.0163
Onchocerca volvulus		0.0521	0.3438	0.3438
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0521	0.3438	0.3438
Brugia malayi	jmjC domain containing protein	0.0104	0.0541	0.0541
Echinococcus multilocularis	zinc finger protein Ran binding	0.0521	0.3438	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0521	0.3438	0.3438
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0084	0.0084
Echinococcus multilocularis	ring and YY1 binding protein	0.0521	0.3438	0.3438
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1463	1	1
Onchocerca volvulus		0.0521	0.3438	0.3438
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0163	0.0163
Schistosoma mansoni	hypothetical protein	0.0521	0.3438	0.3438
Loa Loa (eye worm)	jmjC domain-containing protein	0.0066	0.0273	0.0273
Chlamydia trachomatis	SWIB complex protein	0.1463	1	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1463	1	1
Onchocerca volvulus		0.0521	0.3438	0.3438
Schistosoma mansoni	hypothetical protein	0.1463	1	1
Loa Loa (eye worm)	hypothetical protein	0.0521	0.3438	0.3438
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Brugia malayi	YY1-associated factor 2	0.0521	0.3438	0.3438
Schistosoma mansoni	hypothetical protein	0.0032	0.0037	0.0037
Echinococcus multilocularis	lysine specific demethylase 5A	0.0039	0.0084	0.0084
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0104	0.0541	0.0541
Leishmania major	hypothetical protein, conserved	0.0521	0.3438	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0195	0.0195
Echinococcus multilocularis	SWI:SNF matrix associated	0.1463	1	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0521	0.3438	0.3438
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0521	0.3438	1
Entamoeba histolytica	hypothetical protein	0.0026	0	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0163	0.0163
Echinococcus granulosus	zinc finger protein Ran binding	0.0521	0.3438	0.3438
Trypanosoma cruzi	hypothetical protein, conserved	0.0521	0.3438	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0037	0.0037
Entamoeba histolytica	SPRY domain protein	0.0026	0	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0032	0.0037	0.0037
Leishmania major	hypothetical protein, conserved	0.0521	0.3438	1
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Schistosoma mansoni	hypothetical protein	0.1463	1	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0521	0.3438	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0163	0.0163
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1463	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0521	0.3438	1
Loa Loa (eye worm)	brahma associated protein	0.1463	1	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0032	0.0037	0.0037
Echinococcus granulosus	ring and YY1 binding protein	0.0521	0.3438	0.3438
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0084	0.0084
Chlamydia trachomatis	DNA topoisomerase I	0.1463	1	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0163	0.0163
Plasmodium falciparum	phd finger protein, putative	0.0032	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0521	0.3438	0.3438
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0163	0.0163
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0521	0.3438	1
Schistosoma mansoni	jumonji domain containing protein	0.0083	0.0392	0.0392
Echinococcus multilocularis	SWI:SNF matrix associated	0.1463	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0104	0.0541	0.0541
Schistosoma mansoni	fusion	0.0521	0.3438	0.3438
Echinococcus granulosus	geminin	0.0185	0.1103	0.1103
Plasmodium vivax	hypothetical protein, conserved	0.1463	1	1
Schistosoma mansoni	RNA binding protein	0.0521	0.3438	0.3438
Schistosoma mansoni	zinc finger protein	0.0521	0.3438	0.3438
Echinococcus granulosus	peregrin	0.0032	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0521	0.3438	0.3438
Onchocerca volvulus	Alhambra homolog	0.0032	0.0037	0.0037
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0032	0.0037	0.0037
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0521	0.3438	0.3438
Trypanosoma cruzi	hypothetical protein, conserved	0.0521	0.3438	1
Schistosoma mansoni	hypothetical protein	0.1463	1	1
Schistosoma mansoni	brg-1 associated factor	0.1463	1	1
Echinococcus granulosus	jumonji domain containing protein	0.0044	0.0124	0.0124
Entamoeba histolytica	hypothetical protein	0.0026	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0521	0.3438	1
Brugia malayi	Bromodomain containing protein	0.0032	0.0037	0.0037
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0521	0.3438	0.3438
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1463	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0521	0.3438	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0521	0.3438	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0521	0.3438	0.3438
Loa Loa (eye worm)	PHD-finger family protein	0.0032	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.1463	1	1
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.1463	1	1
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0163	0.0163
Echinococcus multilocularis	peregrin	0.0032	0.0037	0.0037
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0521	0.3438	0.3438
Brugia malayi	PHD-finger family protein	0.0032	0.0037	0.0037
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0163	0.0163
Giardia lamblia	PHD finger protein 15	0.0032	0.0037	1
Entamoeba histolytica	zinc finger domain containing protein	0.0026	0	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0521	0.3438	0.3438
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1463	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1463	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0521	0.3438	0.3438

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	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

ChEMBL: CHEMBL2001926

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 1648507