TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.388 | Formula: C19H21N3O3
H donors: 0 H acceptors: 3 LogP: 2.17 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCCC1c1noc(n1)C1CC1)Cc1ccc2c(c1)CCO2
InChi: 1S/C19H21N3O3/c23-17(11-12-3-6-16-14(10-12)7-9-24-16)22-8-1-2-15(22)18-20-19(25-21-18)13-4-5-13/h3,6,10,13,15H,1-2,4-5,7-9,11H2
InChiKey: KIUIVOFYKWSMLV-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
Echinococcus granulosus	expressed protein	0.0124	0.8352	1
Brugia malayi	6-phosphofructokinase	0.0015	0.0557	0.0557
Schistosoma mansoni	DNA topoisomerase type I	0.01	0.6633	1
Mycobacterium tuberculosis	Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase)	0.0025	0.1336	0.4189
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Loa Loa (eye worm)	6-phosphofructokinase	0.0015	0.0557	0.0557
Mycobacterium tuberculosis	Probable reductase	0.0039	0.2295	0.7194
Brugia malayi	6-phosphofructokinase	0.0015	0.0557	0.0557
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0742	0.0631
Brugia malayi	glutathione reductase	0.0049	0.304	0.304
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0022	0.1085	0.1085
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0742	0.0304
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.304	0.3481
Plasmodium vivax	apurinic/apyrimidinic endonuclease Apn1, putative	0.0025	0.1336	0.1728
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0742	0.0405
Schistosoma mansoni	DNA topoisomerase type I	0.01	0.6633	1
Echinococcus multilocularis	6 phosphofructokinase	0.0015	0.0557	0.0403
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0742	0.5551
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0015	0.0557	0.1745
Treponema pallidum	NADH oxidase	0.0017	0.0742	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0742	0.0742
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0022	0.1085	0.0869
Schistosoma mansoni	6-phosphofructokinase	0.0015	0.0557	0.0511
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.304	0.4388
Echinococcus granulosus	histone lysine methyltransferase setb	0.001	0.0229	0.0032
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0022	0.1085	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0039	0.2295	0.7194
Plasmodium vivax	topoisomerase I, putative	0.01	0.6633	1
Echinococcus granulosus	DNA topoisomerase 1	0.01	0.6633	0.789
Schistosoma mansoni	lozenge	0.0018	0.0837	0.095
Plasmodium falciparum	apurinic/apyrimidinic endonuclease Apn1, putative	0.0025	0.1336	0.1009
Plasmodium falciparum	thioredoxin reductase	0.0049	0.304	0.39
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0742	0.08
Leishmania major	DNA topoisomerase IB, large subunit	0.01	0.6633	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0051	0.319	1
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.304	0.304
Onchocerca volvulus		0.0147	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0022	0.1085	0.0869
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0742	0.08
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0742	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0077	0.5002	0.5002
Brugia malayi	follicle stimulating hormone receptor	0.0077	0.5002	0.5002
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0742	0.08
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0742	0.0304
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0742	0.2325
Loa Loa (eye worm)	phosphofructokinase	0.0015	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Onchocerca volvulus		0.001	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0147	1	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0015	0.0557	0.0557
Brugia malayi	DNA-(Apurinic or apyrimidinic site) lyase	0.0025	0.1336	0.1336
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0742	0.0304
Leishmania major	trypanothione reductase	0.0049	0.304	0.4086
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.01	0.6633	1
Loa Loa (eye worm)	DNA topoisomerase I	0.01	0.6633	0.6633
Loa Loa (eye worm)	hypothetical protein	0.001	0.0229	0.0229
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0022	0.1085	0.1336
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Brugia malayi	Pre-SET motif family protein	0.001	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1336	0.1336
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0742	0.0304
Onchocerca volvulus		0.0079	0.5126	0.5126
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0742	0.0304
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.304	0.9528
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0039	0.2295	0.7194
Echinococcus multilocularis	transcription factor Dp 1	0.0013	0.0427	0.0243
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0013	0.0418	0.0418
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.319	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0742	0.08
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0022	0.1085	0.1053
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0742	0.0304
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Brugia malayi	Pre-SET motif family protein	0.0069	0.4446	0.4446
Schistosoma mansoni	hypothetical protein	0.0017	0.0747	0.0808
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0022	0.1085	0.1085
Toxoplasma gondii	endonuclease IV APN	0.0025	0.1336	0.1728
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0742	0.08
Schistosoma mansoni	6-phosphofructokinase	0.0015	0.0557	0.0511
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0039	0.2295	0.7194
Plasmodium falciparum	topoisomerase I	0.01	0.6633	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0742	0.5551
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0742	0.0661
Echinococcus multilocularis	expressed protein	0.0124	0.8352	1
Brugia malayi	DNA topoisomerase I	0.01	0.6633	0.6633
Echinococcus multilocularis	Protein lozenge	0.0018	0.0837	0.0749
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.304	0.346
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0069	0.4446	0.4446
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0013	0.0418	0.0418
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0742	0.0405
Toxoplasma gondii	thioredoxin reductase	0.0049	0.304	0.4388
Brugia malayi	Thioredoxin reductase	0.0049	0.304	0.304
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.01	0.6633	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0742	0.0304
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0022	0.1085	0.1081
Chlamydia trachomatis	endonuclease IV	0.0025	0.1336	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0039	0.2295	0.7194
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0039	0.2295	0.7194
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0022	0.1085	0.0869
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0742	0.0304
Trichomonas vaginalis	set domain proteins, putative	0.0079	0.5126	1
Mycobacterium leprae	PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE)	0.0025	0.1336	0.4189
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0742	0.5
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Plasmodium vivax	glutathione reductase, putative	0.0049	0.304	0.4388
Brugia malayi	phosphofructokinase	0.0015	0.0557	0.0557
Schistosoma mansoni	DNA topoisomerase type I	0.01	0.6633	1
Echinococcus granulosus	transcription factor Dp 1	0.0013	0.0427	0.0275
Loa Loa (eye worm)	runx1	0.0018	0.0837	0.0837
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0051	0.319	1
Loa Loa (eye worm)	glutathione reductase	0.0049	0.304	0.304
Mycobacterium ulcerans	endonuclease IV	0.0025	0.1336	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.304	0.4086
Toxoplasma gondii	DNA topoisomerase I, putative	0.01	0.6633	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0051	0.319	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0022	0.1085	0.0869
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0742	0.5551
Echinococcus multilocularis	DNA topoisomerase 1	0.01	0.6633	0.7884
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0742	0.5
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0015	0.0557	0.1745
Plasmodium falciparum	glutathione reductase	0.0049	0.304	0.39
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0742	0.0304
Echinococcus granulosus	6 phosphofructokinase	0.0015	0.0557	0.0434
Trypanosoma brucei	trypanothione reductase	0.0049	0.304	0.4086
Mycobacterium ulcerans	6-phosphofructokinase	0.0015	0.0557	0.4167
Mycobacterium tuberculosis	Probable dehydrogenase	0.0039	0.2295	0.7194
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0742	0.0304

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: CHEMBL3492353

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2070803