TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.48 | Formula: C20H31N3O
H donors: 3 H acceptors: 2 LogP: 2.72 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(NCc1c[nH]nc1c1ccc(c(c1)C)C)CCCC(O)(C)C
InChi: 1S/C20H31N3O/c1-14-8-9-17(11-15(14)2)19-18(13-22-23-19)12-21-16(3)7-6-10-20(4,5)24/h8-9,11,13,16,21,24H,6-7,10,12H2,1-5H3,(H,22,23)
InChiKey: YFAQXHGTSZPHNN-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
Plasmodium vivax	sphingomyelin synthase 2, putative	0.0048	0.0352	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0235	0.2407	0.614
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.1136	1
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0048	0.0352	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0108	0.1004	0.8623
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.01	0.0917	0.234
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.1004	0.8837
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0	0.5
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0048	0.0352	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0352	0.0285
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0	0.5
Toxoplasma gondii	hypothetical protein	0.0048	0.0352	1
Mycobacterium tuberculosis	Probable reductase	0.0108	0.1004	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0097	0.0028
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0339	0.9645
Giardia lamblia	Pyruvate kinase	0.0017	0.0003	0.0172
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.0176	0.5019
Entamoeba histolytica	hypothetical protein	0.0048	0.0352	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0097	0.2753
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0176	0.0109
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.1004	0.8837
Plasmodium falciparum	pyruvate kinase 2	0.0017	0.0003	0.0086
Echinococcus granulosus	pyruvate kinase	0.0032	0.0176	0.045
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0352	0.0285
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0048	0.0352	0.0352
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0048	0.0352	1
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0048	0.0352	1
Brugia malayi	Thioredoxin reductase	0.0047	0.0339	0.0339
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0097	0.2753
Schistosoma mansoni	ets-related	0.023	0.235	0.5993
Loa Loa (eye worm)	hypothetical protein	0.0926	1	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.0176	0.5019
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.0176	0.5019
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.0176	0.0109
Mycobacterium ulcerans	pyruvate kinase	0.0032	0.0176	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0097	0.2753
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0097	0.2753
Giardia lamblia	Pyruvate kinase	0.0032	0.0176	1
Brugia malayi	Fli-1 protein	0.023	0.235	0.235
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0339	0.0272
Plasmodium vivax	sphingomyelin synthase 1, putative	0.0048	0.0352	1
Brugia malayi	glutathione reductase	0.0047	0.0339	0.0339
Echinococcus granulosus	geminin	0.0373	0.3921	1
Schistosoma mansoni	hypothetical protein	0.01	0.0917	0.234
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.01	0.0917	0.0917
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0352	1
Echinococcus multilocularis	GA binding protein alpha chain	0.0076	0.0653	0.1666
Entamoeba histolytica	hypothetical protein	0.0048	0.0352	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0235	0.2407	0.614
Echinococcus multilocularis	geminin	0.0373	0.3921	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0097	0.2753
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0533	0.0467
Plasmodium falciparum	glutathione reductase	0.0047	0.0339	0.9645
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1478	0.1419
Loa Loa (eye worm)	hypothetical protein	0.01	0.0917	0.0855
Echinococcus granulosus	pyruvate kinase	0.0032	0.0176	0.045
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.0176	0.0176
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0048	0.0352	0.0897
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0339	0.9645
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.1136	1
Entamoeba histolytica	hypothetical protein	0.0048	0.0352	1
Schistosoma mansoni	hypothetical protein	0.0373	0.3921	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0315	0.3288	0.3288
Echinococcus multilocularis	pyruvate kinase	0.0032	0.0176	0.045
Schistosoma mansoni	pyruvate kinase	0.0032	0.0176	0.045
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0315	0.3288	0.3241
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0235	0.2407	0.614
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0048	0.0352	0.0897
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.01	0.0917	0.234
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.1004	0.8837
Onchocerca volvulus		0.0151	0.1478	1
Trypanosoma brucei	inositol phosphorylceramide synthase	0.0048	0.0352	1
Echinococcus multilocularis	GPCR, family 2	0.01	0.0917	0.234
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0048	0.0352	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0352	0.0285
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0235	0.2407	0.2407
Brugia malayi	Ets-domain containing protein	0.0076	0.0653	0.0653
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.01	0.0917	0.234
Leishmania major	trypanothione reductase	0.0047	0.0339	0.9645
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0339	0.0272
Leishmania major	phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0048	0.0352	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0339	0.2985
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.0176	0.5019
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0048	0.0352	1
Schistosoma mansoni	pyruvate kinase	0.0032	0.0176	0.045
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.1136	1
Echinococcus granulosus	GA binding protein alpha chain	0.0076	0.0653	0.1666
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0048	0.0352	0.0352
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.1004	0.8837
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.01	0.0917	0.234
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0097	0.2753
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.1004	0.8837
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0101	0.0259
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.0176	0.5019
Brugia malayi	Latrophilin receptor protein 2	0.01	0.0917	0.0917
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0048	0.0352	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.0176	0.0176
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0048	0.0352	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.01	0.0917	0.0855
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.0176	0.5019
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0339	0.9645
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0352	0.0285
Loa Loa (eye worm)	fli-1 protein	0.023	0.235	0.2297
Plasmodium falciparum	sphingomyelin synthase 2, putative	0.0048	0.0352	1
Trypanosoma brucei	ceramide phosphorylethanolamine synthase	0.0048	0.0352	1
Schistosoma mansoni	hypothetical protein	0.01	0.0917	0.234
Toxoplasma gondii	pyruvate kinase PyK1	0.0032	0.0176	0.5019
Schistosoma mansoni	hypothetical protein	0.01	0.0917	0.234
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0008
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.0176	0.5019
Brugia malayi	latrophilin 2 splice variant baaae	0.0216	0.2191	0.2191
Schistosoma mansoni	gabp alpha	0.0076	0.0653	0.1666
Treponema pallidum	NADH oxidase	0.0016	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2191	0.2137
Entamoeba histolytica	hypothetical protein	0.0048	0.0352	1
Brugia malayi	hypothetical protein	0.0025	0.0097	0.0097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0235	0.2407	0.614
Trypanosoma brucei	trypanothione reductase	0.0047	0.0339	0.9645
Toxoplasma gondii	pyruvate kinase PyKII	0.0017	0.0003	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0315	0.3288	0.3241
Plasmodium falciparum	pyruvate kinase	0.0032	0.0176	0.5019
Leishmania major	hypothetical protein, conserved	0.0025	0.0097	0.2753
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0048	0.0352	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0008
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0235	0.2407	0.614
Plasmodium vivax	pyruvate kinase 2, putative	0.0017	0.0003	0.0086
Echinococcus granulosus	GPCR family 2	0.01	0.0917	0.234
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0008
Brugia malayi	Ets-domain containing protein	0.0076	0.0653	0.0653
Entamoeba histolytica	hypothetical membrane-spanning protein	0.0048	0.0352	1
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.0176	0.0109
Echinococcus multilocularis	pyruvate kinase	0.0032	0.0176	0.045
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0032	0.0176	0.1553
Schistosoma mansoni	pyruvate kinase	0.0017	0.0003	0.0008
Echinococcus granulosus	pyruvate kinase	0.0017	0.0003	0.0008
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0315	0.3288	0.3288
Chlamydia trachomatis	pyruvate kinase	0.0032	0.0176	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0097	0.2753
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0235	0.2407	0.614
Brugia malayi	hypothetical protein	0.0151	0.1478	0.1478
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0048	0.0352	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0352	0.0285
Schistosoma mansoni	hypothetical protein	0.0216	0.2191	0.5587
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0048	0.0352	0.0352
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0235	0.2407	0.614
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 3	0.0048	0.0352	0.0352
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0339	0.0865
Trichomonas vaginalis	hypothetical protein	0.0048	0.0352	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0339	0.9645
Leishmania major	pyruvate kinase	0.0032	0.0176	0.5019
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0339	0.9645
Leishmania major	pyruvate kinase	0.0032	0.0176	0.5019
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0235	0.2407	0.2355
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.1136	1
Schistosoma mansoni	hypothetical protein	0.01	0.0917	0.234
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0003	0.0008
Schistosoma mansoni	spingomyelin synthetase-related	0.0048	0.0352	0.0897
Entamoeba histolytica	hypothetical protein	0.0048	0.0352	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0339	0.0865
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0076	0.0653	0.0589
Schistosoma mansoni	hypothetical protein	0.0373	0.3921	1
Brugia malayi	Sphingomyelin synthase-related 1	0.0048	0.0352	0.0352
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.0176	0.0109

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 755362