TDR Targets

Basic information

Technical information

TDR Targets ID: 1471228
Name: N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5- f][1,3]benzothiazol-6-yl)-4-(2,5-dioxopyrroli din-1-yl)benzamide
MW: 466.51 | Formula: C23H22N4O5S
H donors: 0 H acceptors: 4 LogP: 2.36 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCN(C(=O)c1ccc(cc1)N1C(=O)CCC1=O)c1sc2c(n1)cc1c(c2)OCO1)C
InChi: 1S/C23H22N4O5S/c1-25(2)9-10-26(23-24-16-11-17-18(32-13-31-17)12-19(16)33-23)22(30)14-3-5-15(6-4-14)27-20(28)7-8-21(27)29/h3-6,11-12H,7-10,13H2,1-2H3
InChiKey: ZFDLTWMKPJIOBL-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-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(2,5-dioxo-1-pyrrolidinyl)benzamide
N-(2-dimethylaminoethyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-succinimido-benzamide

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
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0136	0.0075
Schistosoma mansoni	tyrosine kinase	0.0074	0.0065	0.0441
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0	0.5
Brugia malayi	Thioredoxin reductase	0.0046	0.0016	0.0125
Brugia malayi	hypothetical protein	0.0074	0.0065	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Echinococcus multilocularis	Polycystic kidney disease protein	0.0038	0.0003	0.0003
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0	0.5
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0074	0.0065	0.0065
Onchocerca volvulus		0.0074	0.0065	0.4008
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0016	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0157	0.0982
Echinococcus granulosus	Polycystic kidney disease protein	0.0038	0.0003	0.0003
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0662	0.1069	0.1069
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0016	1
Entamoeba histolytica	hypothetical protein	0.0074	0.0065	1
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0074	0.0065	0.0406
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0063	0.0063
Schistosoma mansoni	metabotropic glutamate receptor	0.0385	0.0596	0.4046
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0972	0.16	0.16
Schistosoma mansoni	hypothetical protein	0.0058	0.0038	0.0255
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0074	0.0065	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Echinococcus multilocularis	tyrosine kinase	0.0074	0.0065	0.0065
Schistosoma mansoni	protein kinase	0.0074	0.0065	0.0441
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0128	0.0157	1
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0016	0.01
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0	0.5
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0074	0.0065	0.0406
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0107	0.0121	0.0121
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0016	1
Schistosoma mansoni	tyrosine kinase	0.0074	0.0065	0.0441
Echinococcus granulosus	receptor type guanylyl cyclase	0.0074	0.0065	0.0065
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0016	1
Echinococcus granulosus	RUN	0.0038	0.0003	0.0003
Brugia malayi	Metabotropic glutamate receptor precursor.	0.079	0.1288	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0003	0.0003
Leishmania major	trypanothione reductase	0.0046	0.0016	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0074	0.0065	0.0065
Brugia malayi	Receptor family ligand binding region containing protein	0.0202	0.0284	0.2205
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0074	0.0065	0.0504
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0017	0.0017
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0136	0.012
Schistosoma mansoni	loxhd1	0.0038	0.0003	0.0022
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0017	0.0017
Trypanosoma cruzi	extracellular receptor, putative	0.0074	0.0065	1
Schistosoma mansoni	lipoxygenase	0.0107	0.0121	0.082
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0063	0.0063
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0716	0.1161	0.9014
Schistosoma mansoni	rab6-interacting	0.0038	0.0003	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0284	0.1775
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0063	0.043
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0662	0.1069	0.1069
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0063	0.975
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0003	0.002
Plasmodium falciparum	glutathione reductase	0.0046	0.0016	1
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0128	0.0157	0.122
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0074	0.0065	0.0065
Schistosoma mansoni	glutamate receptor NMDA	0.0074	0.0065	0.0441
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0063	0.043
Loa Loa (eye worm)	glutamate receptor	0.079	0.1288	0.805
Brugia malayi	Receptor family ligand binding region containing protein	0.0074	0.0065	0.0504
Brugia malayi	glutathione reductase	0.0046	0.0016	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0074	0.0065	0.0065
Echinococcus multilocularis	glutamate receptor 2	0.0074	0.0065	0.0065
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0038	0.0291
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.1661	0.2778	0.2732
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0116	0.01
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0136	0.012
Onchocerca volvulus		0.0074	0.0065	0.4008
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0136	0.012
Echinococcus granulosus	glutamate receptor 2	0.0074	0.0065	0.0065
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0202	0.0284	0.1775
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.5886	1	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0116	0.01
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0074	0.0065	0.0065
Leishmania major	extracellular receptor, putative	0.0074	0.0065	1
Onchocerca volvulus	Poor gastrulation protein homolog	0.0128	0.0157	1
Schistosoma mansoni	polycystin 1-related	0.0038	0.0003	0.0022
Echinococcus multilocularis	thymidine phosphorylase	0.5886	1	1
Loa Loa (eye worm)	hypothetical protein	0.0972	0.16	1
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.1661	0.2778	0.2767
Echinococcus multilocularis	glutamate receptor 2	0.0074	0.0065	0.0065
Schistosoma mansoni	metabotropic glutamate receptor	0.0662	0.1069	0.7256
Echinococcus multilocularis	RUN	0.0038	0.0003	0.0003
Schistosoma mansoni	rab6-interacting	0.0038	0.0003	0.0022
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0972	0.16	0.16
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0038	0.0255
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0063	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0074	0.0065	0.0406
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0202	0.0284	0.1775
Schistosoma mansoni	hypothetical protein	0.0038	0.0003	0.0022
Brugia malayi	Doublecortin family protein	0.0038	0.0003	0.0025
Brugia malayi	hypothetical protein	0.0038	0.0003	0.0025
Echinococcus granulosus	glutamate receptor 2	0.0074	0.0065	0.0065
Echinococcus granulosus	tyrosine kinase	0.0074	0.0065	0.0065
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.0426	0.0426
Brugia malayi	Guanylyl cyclase protein 23	0.0074	0.0065	0.0504
Brugia malayi	metabotropic glutamate receptor type 2	0.0385	0.0596	0.4627
Schistosoma mansoni	lipoxygenase	0.0038	0.0003	0.0022
Schistosoma mansoni	hypothetical protein	0.0128	0.0157	0.1067
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0898	0.1473	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0116	0.01
Loa Loa (eye worm)	hypothetical protein	0.0286	0.0426	0.2663
Loa Loa (eye worm)	glutamate receptor	0.0311	0.0469	0.2932
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0116	0.01
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0074	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0107	0.0121	0.0121
Brugia malayi	hypothetical protein	0.0286	0.0426	0.3308
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0116	0.01
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.0426	0.0426
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0074	0.0065	0.0065
Mycobacterium ulcerans	thymidine phosphorylase	0.5886	1	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0003	0.002
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0003	0.0003
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.1661	0.2778	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0074	0.0065	0.0065
Echinococcus multilocularis	nmda type glutamate receptor	0.0074	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0065	0.0406
Brugia malayi	hypothetical protein	0.0038	0.0003	0.0025
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0074	0.0065	0.0065
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0003	0.0003
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0074	0.0065	0.4008
Echinococcus granulosus	nmda type glutamate receptor	0.0074	0.0065	0.0065
Loa Loa (eye worm)	doublecortin family protein	0.0038	0.0003	0.002
Echinococcus granulosus	GPCR family 3 C terminal	0.0128	0.0157	0.0157
Onchocerca volvulus		0.0058	0.0038	0.2227
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0003	0.0003
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0128	0.0157	0.0157
Trypanosoma brucei	trypanothione reductase	0.0046	0.0016	1
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0074	0.0065	0.0065
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0016	0.01
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0063	0.0047
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0074	0.0065	0.0065
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0116	0.01

Activities

No activities found for this compound.

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: CHEMBL1626349

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1471228