TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.59 | Formula: C26H36N4O
H donors: 1 H acceptors: 2 LogP: 4.04 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(CNC(=O)c1ccc(nc1)c1cccc(c1)CN1CCC(CC1)N1CCCC1)C
InChi: 1S/C26H36N4O/c1-20(2)17-28-26(31)23-8-9-25(27-18-23)22-7-5-6-21(16-22)19-29-14-10-24(11-15-29)30-12-3-4-13-30/h5-9,16,18,20,24H,3-4,10-15,17,19H2,1-2H3,(H,28,31)
InChiKey: VZPDDFQSNCHYRI-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
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0978	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.2952	0.2946
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0497	0.5036
Loa Loa (eye worm)	hypothetical protein	0.0126	0.285	0.3373
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0554	0.0546
Loa Loa (eye worm)	RNA binding protein	0.0064	0.1029	0.1211
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.2368	0.298
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0227	0.0218
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0378	0.455
Onchocerca volvulus		0.0101	0.211	0.4913
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0438
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1029	0.1021
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0644	0.0636
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0047	0.0534	0.5416
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0497	0.0488
Echinococcus granulosus	GPCR family 2	0.0051	0.0644	0.0636
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.1029	0.1211
Plasmodium falciparum	thioredoxin reductase	0.0048	0.0554	1
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0378	0.0438
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0644	0.0636
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.1872	0.1865
Entamoeba histolytica	hypothetical protein	0.0042	0.0377	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0978	0.097
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0594	0.0586
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0378	0.0601
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.2368	0.298
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0268	0.7057	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0978	0.097
Schistosoma mansoni	alpha-glucosidase	0.015	0.356	0.3555
Leishmania major	trypanothione reductase	0.0048	0.0554	0.3946
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0378	0.0369
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0377	0.0368
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0278	0.027
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0497	0.8947
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0378	0.455
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0644	0.0636
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.1872	0.2212
Mycobacterium tuberculosis	Probable oxidoreductase	0.0122	0.2729	0.352
Echinococcus granulosus	tar DNA binding protein	0.0064	0.1029	0.1021
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1029	0.1021
Schistosoma mansoni	hypothetical protein	0.0051	0.0644	0.0636
Brugia malayi	RNA, U transporter 1	0.0084	0.1614	0.2571
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0122	0.2729	0.352
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0315	0.8432	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0122	0.2729	0.352
Echinococcus multilocularis	survival motor neuron protein 1	0.0242	0.6278	0.6275
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0978	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0047	0.0534	0.085
Echinococcus granulosus	lysosomal alpha glucosidase	0.0174	0.4276	0.4271
Brugia malayi	Importin beta-1 subunit	0.0029	0.0009	0.0014
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0378	0.0369
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1029	0.1021
Plasmodium falciparum	glutathione reductase	0.0048	0.0554	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0161	0.3898	0.6208
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0644	0.1026
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0378	0.455
Brugia malayi	hypothetical protein	0.0242	0.6278	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.1029	0.1211
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.1872	0.1865
Brugia malayi	hypothetical protein	0.0126	0.285	0.4539
Schistosoma mansoni	bromodomain containing protein	0.0069	0.1163	0.1155
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0151	0.3586	0.3581
Onchocerca volvulus		0.0161	0.3903	1
Brugia malayi	beta-lactamase	0.0042	0.0378	0.0601
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0122	0.2729	1
Brugia malayi	Thioredoxin reductase	0.0048	0.0554	0.0883
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.2368	0.298
Leishmania major	hypothetical protein, conserved	0.0042	0.0378	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0644	0.0754
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0378	0.455
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0174	0.4276	0.4271
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0537	0.0628
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.1872	0.2982
Brugia malayi	hypothetical protein	0.0043	0.0398	0.0634
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.2392	0.3809
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0497	1
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0318	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0978	1
Brugia malayi	TAR-binding protein	0.0064	0.1029	0.1639
Brugia malayi	hypothetical protein	0.0042	0.0377	0.06
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0174	0.4276	0.5066
Schistosoma mansoni	hypothetical protein	0.0315	0.8432	0.8431
Loa Loa (eye worm)	hypothetical protein	0.0161	0.3898	0.4617
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.2368	0.298
Brugia malayi	hypothetical protein	0.0043	0.0398	0.0634
Schistosoma mansoni	hypothetical protein	0.011	0.2392	0.2385
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0978	0.097
Brugia malayi	beta-lactamase family protein	0.0042	0.0378	0.0601
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1872	0.1865
Echinococcus multilocularis	geminin	0.0368	1	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0497	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0594	0.0586
Entamoeba histolytica	hypothetical protein	0.0042	0.0377	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0644	0.0636
Loa Loa (eye worm)	hypothetical protein	0.011	0.2392	0.2829
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0047	0.0534	0.9621
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0554	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0161	0.3903	0.4623
Schistosoma mansoni	hypothetical protein	0.0129	0.2952	0.2946
Schistosoma mansoni	hypothetical protein	0.0368	1	1
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0554	0.5629
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0554	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0278	0.0443
Brugia malayi	hypothetical protein	0.0161	0.3903	0.6217
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0644	0.0636
Brugia malayi	glutathione reductase	0.0048	0.0554	0.0883
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0438
Onchocerca volvulus	Huntingtin homolog	0.0126	0.285	0.7012
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.3392	0.3386
Schistosoma mansoni	hypothetical protein	0.0042	0.0377	0.0368
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0047	0.0534	0.085
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0278	0.278
Brugia malayi	Bromodomain containing protein	0.0043	0.0406	0.0646
Entamoeba histolytica	hypothetical protein	0.0042	0.0377	1
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0554	0.0648
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0594	0.0947
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1872	0.1865
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.1054	0.1046
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1872	0.1865
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0047	0.0534	0.085
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0047	0.0534	0.9621
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0534	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0438
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0644	0.0754
Entamoeba histolytica	hypothetical protein	0.0042	0.0377	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0151	0.3586	0.5712
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0978	0.0898
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.1054	0.1046
Trichomonas vaginalis	esterase, putative	0.0042	0.0378	0.455
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.3259	0.3253
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0554	0.0546
Brugia malayi	beta-lactamase family protein	0.0042	0.0378	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0438
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0378	0.3603
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0438
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0174	0.4276	0.6811
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0318	0.4027
Loa Loa (eye worm)	hypothetical protein	0.0126	0.285	0.3373
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0378	0.3603
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0438
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0377	0.0368
Brugia malayi	Bromodomain containing protein	0.0081	0.1518	0.2417
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0378	0.455
Schistosoma mansoni	hypothetical protein	0.0368	1	1
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0047	0.0534	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1281	0.151
Mycobacterium tuberculosis	Probable reductase	0.0109	0.2368	0.298
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0978	1
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0644	0.1026
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1029	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0242	0.6278	0.7442
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.0554	1
Onchocerca volvulus	Huntingtin homolog	0.0126	0.285	0.7012
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0227	0.0218
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.3259	0.3253
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0378	0.0369
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0161	0.3898	0.4617
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.2952	0.2946
Echinococcus multilocularis	snurportin 1	0.0315	0.8432	0.8431
Schistosoma mansoni	hypothetical protein	0.0051	0.0644	0.0636
Schistosoma mansoni	alpha-glucosidase	0.015	0.356	0.3555
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.0554	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0045	0.048	0.0559
Trypanosoma brucei	trypanothione reductase	0.0048	0.0554	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0534	0.0525
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.1872	0.1865
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0554	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.1029	0.1021
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.1029	0.1639
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.1872	0.1865
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0378	0.6763
Onchocerca volvulus		0.0049	0.0594	0.0615
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0978	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0644	0.0636
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0139	0.3259	0.3253
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0278	0.032
Toxoplasma gondii	ABC1 family protein	0.0042	0.0378	0.3807
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0378	0.0438
Trypanosoma brucei	glucosidase, putative	0.0039	0.0278	0.4939
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0278	0.027
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1029	0.1021
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0378	0.6763
Schistosoma mansoni	hypothetical protein	0.0051	0.0644	0.0636
Echinococcus granulosus	survival motor neuron protein 1	0.0242	0.6278	0.6275
Loa Loa (eye worm)	acetyltransferase	0.0151	0.3586	0.4247
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0377	0.0368
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0161	0.3898	0.6208
Schistosoma mansoni	alpha glucosidase	0.0039	0.0278	0.027
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0151	0.3586	0.3581
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0497	0.5036
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0301	0.0347
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0978	0.097
Echinococcus granulosus	snurportin 1	0.0315	0.8432	0.8431
Brugia malayi	RNA binding protein	0.0064	0.1029	0.1639
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.2368	0.298
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.2368	0.8467
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0174	0.4276	0.4271
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0378	0.0369
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0318	0.5667

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: CHEMBL546752

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 1040784