TDR Targets

Basic information

Technical information

TDR Targets ID: 1305588
Name: N-[4-[[4-(2,6-dioxopiperidin-1-yl)-2-nitrophe nyl]amino]phenyl]acetamide
MW: 382.37 | Formula: C19H18N4O5
H donors: 2 H acceptors: 5 LogP: 2.16 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])N1C(=O)CCCC1=O
InChi: 1S/C19H18N4O5/c1-12(24)20-13-5-7-14(8-6-13)21-16-10-9-15(11-17(16)23(27)28)22-18(25)3-2-4-19(22)26/h5-11,21H,2-4H2,1H3,(H,20,24)
InChiKey: XBAOCWXSJVUZHJ-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

N-[4-[[4-(2,6-dioxo-1-piperidyl)-2-nitro-phenyl]amino]phenyl]acetamide
N-[4-[[4-(2,6-dioxo-1-piperidinyl)-2-nitrophenyl]amino]phenyl]acetamide
N-[4-[(4-glutarimido-2-nitro-phenyl)amino]phenyl]acetamide
N-[4-[[4-(2,6-dioxopiperidin-1-yl)-2-nitro-phenyl]amino]phenyl]ethanamide
MLS000584622
N-(4-{[4-(2,6-dioxopiperidin-1-yl)-2-nitrophenyl]amino}phenyl)acetamide
SMR000207207

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like 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
Loa Loa (eye worm)	hypothetical 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

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	histone-lysine n-methyltransferase setb1	0.0054	0.113	0.113
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.2703	0.362
Onchocerca volvulus		0.0047	0.0897	0.1009
Onchocerca volvulus		0.0041	0.0684	0.077
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0139	0.4181	0.5598
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0684	0.0684
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.7469	1
Brugia malayi	Bromodomain containing protein	0.009	0.2421	0.2421
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0684	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0054	0.113	0.1513
Mycobacterium ulcerans	glutaminase	0.0302	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0684	0.0684
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0134	0.018
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0159	0.4889	0.6546
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0684	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0044	0.0787	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0433	0.0433
Brugia malayi	acetyltransferase, GNAT family protein	0.0166	0.515	0.515
Brugia malayi	hypothetical protein	0.0231	0.7469	0.7469
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.1027	0.0368
Leishmania major	hypothetical protein, conserved	0.0041	0.0684	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1021	0.1021
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0054	0.113	0.113
Brugia malayi	Pre-SET motif family protein	0.0034	0.0433	0.0433
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0897	0.0897
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0433	0.0433
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.2703	0.2703
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2703	0.2703
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0041	0.0681	0.0912
Loa Loa (eye worm)	PHD-finger family protein	0.0024	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0231	0.7469	0.7469
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0684	0.5
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0787	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.113	0.113
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.1027	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0787	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0238	0.7717	0.7717
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0054	0.113	0.1513
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0684	0.5
Onchocerca volvulus		0.0041	0.0684	0.077
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.1796	0.2404
Brugia malayi	Muscleblind-like protein	0.018	0.5658	0.5658
Brugia malayi	Bromodomain containing protein	0.0048	0.0921	0.0921
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0684	0.0684
Echinococcus multilocularis	muscleblind protein 1	0.018	0.5658	0.7576
Trichomonas vaginalis	glutaminase, putative	0.0302	1	1
Brugia malayi	beta-lactamase family protein	0.0041	0.0684	0.0684
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0041	0.0681	0.0912
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0263	0.8612	1
Onchocerca volvulus		0.0041	0.0684	0.077
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2703	0.2703
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0134	0.0134
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0684	0.423
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0684	0.0684
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.2703	0.2703
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0684	0.5
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0166	0.515	0.515
Schistosoma mansoni	hypothetical protein	0.0139	0.4181	0.4181
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0897	0.0897
Toxoplasma gondii	ABC1 family protein	0.0041	0.0684	0.423
Schistosoma mansoni	glutaminase	0.0302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0684	0.0684
Echinococcus multilocularis	zinc finger protein	0.0026	0.0156	0.0209
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.4968	0.4968
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0166	0.515	0.6895
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1099	0.1099
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.2703	0.2703
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0684	0.0684
Trichomonas vaginalis	set domain proteins, putative	0.0271	0.8892	0.881
Brugia malayi	beta-lactamase family protein	0.0041	0.0684	0.0684
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0161	0.4968	0.6651
Brugia malayi	PHD-finger family protein	0.0032	0.0374	0.0374
Loa Loa (eye worm)	acetyltransferase	0.0166	0.515	0.515
Onchocerca volvulus		0.0034	0.0433	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0781	0.0781
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0134	0.018
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.1027	0.1375
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0388	0.052
Loa Loa (eye worm)	hypothetical protein	0.018	0.5658	0.5658
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0684	0.0916
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.1027	1
Brugia malayi	beta-lactamase	0.0041	0.0684	0.0684
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.7469	1
Echinococcus granulosus	zinc finger protein	0.0026	0.0156	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0081	0.2103	0.2103
Loa Loa (eye worm)	hypothetical protein	0.018	0.5658	0.5658
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.2703	0.362
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0139	0.4181	0.5598
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.4968	0.4968
Echinococcus multilocularis	muscleblind protein	0.018	0.5658	0.7576
Brugia malayi	Pre-SET motif family protein	0.0238	0.7717	0.7717
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0684	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0684	0.0684
Schistosoma mansoni	hypothetical protein	0.0024	0.0056	0.0056
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.2703	0.362
Schistosoma mansoni	bromodomain containing protein	0.0076	0.1942	0.1942
Schistosoma mansoni	hypothetical protein	0.0047	0.0897	0.0897
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0684	0.0684
Loa Loa (eye worm)	bromodomain containing protein	0.0024	0.0078	0.0078
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.1027	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.2703	0.362
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.1796	0.2404
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0684	0.0684
Echinococcus granulosus	muscleblind protein	0.018	0.5658	0.7576
Schistosoma mansoni	zinc finger protein	0.0026	0.0156	0.0156
Onchocerca volvulus		0.0271	0.8892	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0433	0.058
Brugia malayi	glutaminase DH11.1	0.0302	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0684	0.0916
Loa Loa (eye worm)	glutaminase	0.0302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0684	0.0684
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.1027	0.0368

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	7.0795 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1427081

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 1305588