TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.525 | Formula: C23H32N4O3
H donors: 2 H acceptors: 4 LogP: 3.74 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CC(Cn1cc(C(=O)NCCc2ccccn2)c(=O)c(c1)C(=O)NCCC(C)C)C
InChi: 1S/C23H32N4O3/c1-16(2)8-11-25-22(29)19-14-27(13-17(3)4)15-20(21(19)28)23(30)26-12-9-18-7-5-6-10-24-18/h5-7,10,14-17H,8-9,11-13H2,1-4H3,(H,25,29)(H,26,30)
InChiKey: JKBNFHROOQSAQU-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
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Treponema pallidum	hexokinase (hxk)	0.0079	0.3713	0.5
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.475	0.4655
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0977	0.0814
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0839	0.1766
Trichomonas vaginalis	DNA polymerase eta, putative	0.0038	0.0839	0.1638
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.6531	1
Brugia malayi	Hexokinase family protein	0.005	0.1635	0.1707
Echinococcus granulosus	dna polymerase eta	0.0063	0.2622	0.2489
Echinococcus multilocularis	hexokinase type 2	0.0079	0.3713	0.3599
Loa Loa (eye worm)	hypothetical protein	0.015	0.8716	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.6531	1
Leishmania major	hexokinase, putative	0.0079	0.3713	0.7402
Onchocerca volvulus		0.0079	0.3713	0.4141
Onchocerca volvulus		0.005	0.1635	0.1707
Brugia malayi	hexokinase	0.0079	0.3713	0.4141
Loa Loa (eye worm)	hexokinase	0.0079	0.3713	0.4141
Brugia malayi	ImpB/MucB/SamB family protein	0.0063	0.2622	0.2863
Schistosoma mansoni	chromobox protein	0.0069	0.3014	0.2888
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1627	0.1697
Onchocerca volvulus		0.003	0.028	0.012
Echinococcus multilocularis	hexokinase	0.0079	0.3713	0.3599
Onchocerca volvulus		0.0079	0.3713	0.4141
Echinococcus multilocularis	dna polymerase eta	0.0063	0.2622	0.2489
Schistosoma mansoni	kinase	0.0048	0.1497	0.1344
Trypanosoma brucei	unspecified product	0.0038	0.0839	0.1766
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.475	1
Loa Loa (eye worm)	hexokinase	0.005	0.1635	0.1707
Schistosoma mansoni	chromobox protein	0.0069	0.3014	0.2888
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0871	0.1707
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.475	0.5355
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0522	0.0404
Trypanosoma brucei	DNA polymerase eta, putative	0.0063	0.2622	0.5521
Trypanosoma cruzi	hexokinase, putative	0.0079	0.3713	0.7402
Brugia malayi	Thioredoxin reductase	0.0047	0.1447	0.1487
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.0759	0.1643
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1627	0.1697
Brugia malayi	Heterochromatin protein 1	0.0069	0.3014	0.3322
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0839	0.1766
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.1447	0.1292
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.1078	0.1055
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3014	0.2888
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.2351	0.2545
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0607	0.0437
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.5688	0.852
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.5688	0.852
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1627	0.1697
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Trypanosoma brucei	hexokinase	0.0079	0.3713	0.7817
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Toxoplasma gondii	hexokinase	0.0079	0.3713	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.0839	0.0774
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0038	0.0839	0.1638
Schistosoma mansoni	DNA polymerase eta	0.0063	0.2622	0.2489
Echinococcus granulosus	hexokinase	0.0079	0.3713	0.3599
Echinococcus multilocularis	geminin	0.0168	1	1
Entamoeba histolytica	hexokinase 2	0.0079	0.3713	0.7349
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.6531	1
Brugia malayi	jmjC domain containing protein	0.0095	0.4822	0.5439
Echinococcus granulosus	hexokinase	0.0079	0.3713	0.3599
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.6531	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.3014	0.2888
Echinococcus granulosus	hexokinase	0.0079	0.3713	0.3599
Trypanosoma cruzi	hexokinase, putative	0.0079	0.3713	0.7402
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Giardia lamblia	DINP protein human, muc B family	0.0038	0.0839	0.1446
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0839	0.0201
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.6495	0.7399
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.1447	0.1487
Loa Loa (eye worm)	hypothetical protein	0.0063	0.2622	0.2863
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1078	0.2151
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.4822	0.4728
Plasmodium falciparum	thioredoxin reductase	0.0047	0.1447	0.359
Trypanosoma brucei	hexokinase, putative	0.0079	0.3713	0.7817
Loa Loa (eye worm)	hexokinase type II	0.0079	0.3713	0.4141
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.475	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.475	0.4655
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0607	0.0503
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.3448	0.3329
Plasmodium vivax	hexokinase, putative	0.0079	0.3713	1
Echinococcus multilocularis	hexokinase	0.0079	0.3713	0.3599
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0839	0.0201
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0839	0.0201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.0839	0.0673
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.1447	0.1292
Schistosoma mansoni	hypothetical protein	0.0034	0.0522	0.0351
Plasmodium vivax	glutathione reductase, putative	0.0047	0.1447	0.359
Loa Loa (eye worm)	hypothetical protein	0.003	0.028	0.012
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.475	1
Trypanosoma brucei	trypanothione reductase	0.0047	0.1447	0.3046
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1627	0.1697
Leishmania major	DNA polymerase eta, putative	0.0063	0.2622	0.4669
Loa Loa (eye worm)	hexokinase	0.0079	0.3713	0.4141
Trypanosoma brucei	polo-like protein kinase	0.0094	0.475	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.5688	0.852
Schistosoma mansoni	hypothetical protein	0.0168	1	1
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0977	0.0814
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.1447	0.1725
Toxoplasma gondii	thioredoxin reductase	0.0047	0.1447	0.359
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.141	0.286
Leishmania major	DNA polymerase kappa, putative	0.0038	0.0839	0.0201
Leishmania major	trypanothione reductase	0.0047	0.1447	0.1725
Echinococcus granulosus	hexokinase type 2	0.0079	0.3713	0.3599
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.4822	0.4728
Giardia lamblia	Kinase, PLK	0.0094	0.475	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.0839	0.0774
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.0839	0.0673
Plasmodium falciparum	glutathione reductase	0.0047	0.1447	0.359
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.141	0.286
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0038	0.0839	0.0673
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.0839	0.0673
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0607	0.0437
Brugia malayi	glutathione reductase	0.0047	0.1447	0.1487
Loa Loa (eye worm)	hypothetical protein	0.0054	0.194	0.2064
Loa Loa (eye worm)	hypothetical protein	0.005	0.1636	0.1708
Plasmodium falciparum	hexokinase	0.0079	0.3713	1
Schistosoma mansoni	hexokinase	0.0079	0.3713	0.3599
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0839	0.1766
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3014	0.629
Onchocerca volvulus		0.015	0.8716	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0063	0.2622	0.4669
Mycobacterium tuberculosis	Probable reductase	0.0107	0.5688	0.852
Echinococcus granulosus	dna polymerase kappa	0.0038	0.0839	0.0673
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.6495	0.7399
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.475	0.5355
Echinococcus granulosus	chromobox protein 1	0.0069	0.3014	0.2888
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0839	0.0201
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.1447	0.1069
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.475	0.5355
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0839	0.5
Schistosoma mansoni	hypothetical protein	0.0168	1	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.0839	0.0201
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0522	0.0404
Echinococcus multilocularis	hexokinase	0.0079	0.3713	0.3599
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0607	0.0437
Brugia malayi	Hexokinase family protein	0.0079	0.3713	0.4141
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0038	0.0839	0.0673
Trypanosoma brucei	hexokinase	0.0079	0.3713	0.7817
Onchocerca volvulus	Hexokinase homolog	0.005	0.1635	0.1707
Loa Loa (eye worm)	glutathione reductase	0.0047	0.1447	0.1487
Brugia malayi	jmjC domain containing protein	0.0035	0.0607	0.0503
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.5688	0.852
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0607	0.0437
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.475	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.1078	0.2151
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0839	0.1766
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0871	0.0812
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0871	0.1707
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.475	0.4655
Echinococcus multilocularis	chromobox protein 1	0.0069	0.3014	0.2888
Entamoeba histolytica	hexokinase 1	0.0079	0.3713	0.7349
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.3014	0.629
Brugia malayi	chromobox protein homolog 3	0.0039	0.0871	0.0812
Leishmania major	hexokinase, putative	0.0079	0.3713	0.7402
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.3014	0.3322
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.1447	0.359
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0871	0.0812
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Brugia malayi	MH2 domain containing protein	0.0118	0.6495	0.7399
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0839	0.5
Onchocerca volvulus		0.0079	0.3713	0.4141
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.475	1
Brugia malayi	hypothetical protein	0.015	0.8716	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.5688	0.852

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 904739