TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.412 | Formula: C17H24N6O
H donors: 1 H acceptors: 4 LogP: 0.95 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCCC(C1)n1ccnc1C)CCCNc1ncccn1
InChi: 1S/C17H24N6O/c1-14-18-10-12-23(14)15-5-3-11-22(13-15)16(24)6-2-7-19-17-20-8-4-9-21-17/h4,8-10,12,15H,2-3,5-7,11,13H2,1H3,(H,19,20,21)
InChiKey: MRRDSOZKOHZHJD-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0015	0.0742	0.2325
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0017	0.0895	0.0895
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Plasmodium vivax	topoisomerase I, putative	0.0089	0.6633	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0044	0.304	0.346
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0017	0.0895	0.0557
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0015	0.0742	0.5551
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0015	0.0742	0.0661
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0089	0.6633	1
Echinococcus multilocularis	Protein lozenge	0.0016	0.0837	0.0749
Mycobacterium ulcerans	6-phosphofructokinase	0.0013	0.0557	0.4167
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Loa Loa (eye worm)	phosphofructokinase	0.0013	0.0557	0.0557
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0015	0.0742	0.0631
Schistosoma mansoni	6-phosphofructokinase	0.0013	0.0557	0.0511
Echinococcus granulosus	thioredoxin glutathione reductase	0.0044	0.304	0.3481
Trypanosoma cruzi	trypanothione reductase, putative	0.0015	0.0742	0.0304
Plasmodium falciparum	carbonic anhydrase	0.0017	0.0895	0.026
Brugia malayi	DNA-(Apurinic or apyrimidinic site) lyase	0.0023	0.1336	0.1336
Echinococcus multilocularis	6 phosphofructokinase	0.0013	0.0557	0.0403
Mycobacterium tuberculosis	Probable oxidoreductase	0.0046	0.319	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0017	0.0895	0.0895
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0015	0.0742	0.0304
Echinococcus granulosus	6 phosphofructokinase	0.0013	0.0557	0.0434
Schistosoma mansoni	carbonic anhydrase-related	0.0017	0.0895	0.1039
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0013	0.0557	0.1745
Mycobacterium ulcerans	endonuclease IV	0.0023	0.1336	1
Loa Loa (eye worm)	thioredoxin reductase	0.0044	0.304	0.304
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0017	0.0895	0.0557
Schistosoma mansoni	DNA topoisomerase type I	0.0089	0.6633	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0046	0.319	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0015	0.0742	0.5551
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0017	0.0895	0.0895
Echinococcus granulosus	carbonic anhydrase	0.0017	0.0895	0.0849
Echinococcus multilocularis	carbonic anhydrase	0.0017	0.0895	0.0819
Trypanosoma brucei	carbonic anhydrase-like protein	0.0017	0.0895	0.0557
Echinococcus multilocularis	DNA topoisomerase 1	0.0089	0.6633	0.7884
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.002	0.1085	0.1081
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0013	0.0557	0.1745
Plasmodium falciparum	apurinic/apyrimidinic endonuclease Apn1, putative	0.0023	0.1336	0.1009
Schistosoma mansoni	carbonic anhydrase-related	0.0017	0.0895	0.1039
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0015	0.0742	0.0304
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0035	0.2295	0.7194
Plasmodium falciparum	topoisomerase I	0.0089	0.6633	1
Trichomonas vaginalis	glutathione reductase, putative	0.0015	0.0742	0.0405
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0015	0.0742	0.0304
Leishmania major	trypanothione reductase	0.0044	0.304	0.4086
Toxoplasma gondii	hypothetical protein	0.0017	0.0895	0.1039
Echinococcus granulosus	histone lysine methyltransferase setb	0.0009	0.0229	0.0032
Plasmodium falciparum	glutathione reductase	0.0044	0.304	0.39
Echinococcus multilocularis	carbonic anhydrase	0.0017	0.0895	0.0819
Trichomonas vaginalis	mercuric reductase, putative	0.0015	0.0742	0.0405
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Echinococcus multilocularis	carbonic anhydrase II	0.0017	0.0895	0.0819
Schistosoma mansoni	lozenge	0.0016	0.0837	0.095
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0.0742	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0017	0.0895	0.1039
Trypanosoma cruzi	trypanothione reductase, putative	0.0044	0.304	0.4086
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0.0742	0.5
Loa Loa (eye worm)	runx1	0.0016	0.0837	0.0837
Echinococcus granulosus	carbonic anhydrase II	0.0017	0.0895	0.0849
Brugia malayi	Pre-SET motif family protein	0.0009	0.0229	0.0229
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0017	0.0895	0.0895
Brugia malayi	6-phosphofructokinase	0.0013	0.0557	0.0557
Loa Loa (eye worm)	DNA topoisomerase I	0.0089	0.6633	0.6633
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0017	0.0895	0.0895
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0017	0.0895	0.0895
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0089	0.6633	1
Mycobacterium leprae	PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE)	0.0023	0.1336	0.4189
Schistosoma mansoni	6-phosphofructokinase	0.0013	0.0557	0.0511
Brugia malayi	phosphofructokinase	0.0013	0.0557	0.0557
Brugia malayi	glutathione reductase	0.0044	0.304	0.304
Loa Loa (eye worm)	carbonic anhydrase 3	0.0017	0.0895	0.0895
Toxoplasma gondii	NADPH-glutathione reductase	0.0015	0.0742	0.08
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Schistosoma mansoni	carbonic anhydrase	0.0017	0.0895	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1336	0.1336
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0035	0.2295	0.7194
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0015	0.0742	0.5
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0015	0.0742	0.0304
Leishmania major	DNA topoisomerase IB, large subunit	0.0089	0.6633	1
Brugia malayi	6-phosphofructokinase	0.0013	0.0557	0.0557
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0015	0.0742	0.08
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.002	0.1085	0.1085
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.002	0.1085	0.1053
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.002	0.1085	0.1085
Plasmodium vivax	apurinic/apyrimidinic endonuclease Apn1, putative	0.0023	0.1336	0.1728
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.002	0.1085	1
Brugia malayi	Pre-SET motif family protein	0.0062	0.4446	0.4446
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.002	0.1085	0.0869
Mycobacterium tuberculosis	Probable dehydrogenase	0.0035	0.2295	0.7194
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0035	0.2295	0.7194
Loa Loa (eye worm)	6-phosphofructokinase	0.0013	0.0557	0.0557
Onchocerca volvulus		0.007	0.5126	0.5126
Chlamydia trachomatis	endonuclease IV	0.0023	0.1336	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0011	0.0418	0.0418
Onchocerca volvulus		0.0131	1	1
Toxoplasma gondii	thioredoxin reductase	0.0044	0.304	0.4388
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.002	0.1085	0.0869
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0069	0.5002	0.5002
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0015	0.0742	0.08
Plasmodium vivax	glutathione reductase, putative	0.0044	0.304	0.4388
Brugia malayi	follicle stimulating hormone receptor	0.0069	0.5002	0.5002
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Brugia malayi	Thioredoxin reductase	0.0044	0.304	0.304
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0742	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0895	0.0895
Trypanosoma brucei	trypanothione reductase	0.0044	0.304	0.4086
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0017	0.0895	0.0895
Echinococcus granulosus	carbonic anhydrase	0.0017	0.0895	0.0849
Echinococcus multilocularis	carbonic anhydrase	0.0017	0.0895	0.0819
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.002	0.1085	0.0869
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0015	0.0742	0.0304
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0011	0.0418	0.0418
Schistosoma mansoni	hypothetical protein	0.0015	0.0747	0.0808
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0017	0.0895	0.0895
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0015	0.0742	0.08
Loa Loa (eye worm)	glutathione reductase	0.0044	0.304	0.304
Toxoplasma gondii	DNA topoisomerase I, putative	0.0089	0.6633	1
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.002	0.1085	0.1336
Echinococcus multilocularis	expressed protein	0.0111	0.8352	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0015	0.0742	0.0304
Loa Loa (eye worm)	6-phosphofructokinase	0.0013	0.0557	0.0557
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0015	0.0742	0.0742
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0015	0.0742	0.0304
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0017	0.0895	0.0895
Schistosoma mansoni	DNA topoisomerase type I	0.0089	0.6633	1
Brugia malayi	DNA topoisomerase I	0.0089	0.6633	0.6633
Plasmodium falciparum	thioredoxin reductase	0.0044	0.304	0.39
Echinococcus granulosus	expressed protein	0.0111	0.8352	1
Mycobacterium tuberculosis	Probable reductase	0.0035	0.2295	0.7194
Echinococcus granulosus	carbonic anhydrase	0.0017	0.0895	0.0849
Schistosoma mansoni	hypothetical protein	0.0017	0.0895	0.1039
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.002	0.1085	0.0869
Mycobacterium tuberculosis	Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase)	0.0023	0.1336	0.4189
Echinococcus granulosus	transcription factor Dp 1	0.0011	0.0427	0.0275
Plasmodium vivax	thioredoxin reductase, putative	0.0044	0.304	0.4388
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0895	0.0895
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0044	0.304	0.9528
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0062	0.4446	0.4446
Schistosoma mansoni	carbonic anhydrase-related	0.0017	0.0895	0.1039
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0035	0.2295	0.7194
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0017	0.0895	0.1039
Echinococcus multilocularis	transcription factor Dp 1	0.0011	0.0427	0.0243
Trichomonas vaginalis	set domain proteins, putative	0.007	0.5126	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0895	0.0895
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0035	0.2295	0.7194
Treponema pallidum	NADH oxidase	0.0015	0.0742	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0015	0.0742	0.08
Schistosoma mansoni	DNA topoisomerase type I	0.0089	0.6633	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0046	0.319	1
Echinococcus granulosus	DNA topoisomerase 1	0.0089	0.6633	0.789
Toxoplasma gondii	endonuclease IV APN	0.0023	0.1336	0.1728
Onchocerca volvulus		0.0009	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0229	0.0229
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0046	0.319	1
Leishmania major	carbonic anhydrase-like protein	0.0017	0.0895	0.0557
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0015	0.0742	0.5551
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0015	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: CHEMBL3492201

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 2070790