TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 582.946 | Formula: C37H66N4O
H donors: 3 H acceptors: 1 LogP: 10.5 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1ccccc1)NCCN(CCNC1CCCCCCCCCCC1)CCNC1CCCCCCCCCCC1
InChi: 1S/C37H66N4O/c42-37(34-22-16-15-17-23-34)40-30-33-41(31-28-38-35-24-18-11-7-3-1-4-8-12-19-25-35)32-29-39-36-26-20-13-9-5-2-6-10-14-21-27-36/h15-17,22-23,35-36,38-39H,1-14,18-21,24-33H2,(H,40,42)
InChiKey: DHVSYYZPPFJMAD-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
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.001	0.0097	0.0012
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2377	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0055
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2377	0.3468
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0087	0.3499	0.3443
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.005	0.1864	0.5328
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0592	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0162	0.6854	0.6827
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0055
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0592	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0235	0.0151
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1614	0.2355
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0592	0.0511
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0592	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0592	0.0511
Schistosoma mansoni	metabotropic glutamate receptor	0.002	0.0516	0.0753
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0592	0.1691
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0592	0.1691
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0014	0.0235	0.0342
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0592	0.0511
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0162	0.6854	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0592	0.1691
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0592	0.0511
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0022	0.0592	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0592	0.0511
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0592	0.0511
Schistosoma mansoni	nuclear receptor	0.001	0.0085	0.0124
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.001	0.0085	0.0243
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0592	0.1691
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0014	0.0235	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.001	0.0085	0.0243
Brugia malayi	RNA binding protein	0.0062	0.2377	0.2311
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0014	0.0235	0.0671
Brugia malayi	nuclear hormone receptor	0.0022	0.0592	0.0511
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0014	0.0235	0.0671
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1614	0.1542
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2377	0.3468
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0592	0.1691
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0592	0.0511
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0011	0.0139	0.0398
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.001	0.0085	0.0124
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0592	0.0511
Onchocerca volvulus	Putative fad oxidoreductase	0.0014	0.0235	0.2951
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0037	0.1275	0.12
Echinococcus granulosus	Nuclear hormone receptor HR96	0.001	0.0085	0.0243
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0014	0.0235	0.0342
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0014	0.0235	0.5
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2377	0.2311
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0014	0.0235	0.0342
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0592	0.0863
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2377	0.3468
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0592	0.0511
Brugia malayi	hypothetical protein	0.0011	0.0139	0.0055
Brugia malayi	RE18450p	0.0014	0.0235	0.0151
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0087	0.3499	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2377	0.2311
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0592	0.1691
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1614	0.1542
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0235	0.0151
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0022	0.0592	0.0863
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0011	0.0139	0.0203
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0014	0.0235	0.0375
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0014	0.0235	0.0342
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0592	0.1691
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0022	0.0592	0.0863
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.001	0.0085	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0592	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0022	0.0592	0.0863
Echinococcus granulosus	metabotropic glutamate receptor 5	0.005	0.1864	0.5328
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0041	0.1445	0.1372
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1614	0.2355
Schistosoma mansoni	coup transcription factor	0.0022	0.0592	0.0863
Brugia malayi	ecdysteroid receptor	0.0022	0.0592	0.0511
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.3499	1
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0008	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0085	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0055
Brugia malayi	Protein kinase domain containing protein	0.0087	0.3499	0.3443
Schistosoma mansoni	nuclear receptor	0.001	0.0085	0.0124
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0014	0.0235	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0022	0.0592	0.0863
Loa Loa (eye worm)	glutamate receptor	0.0016	0.0346	0.0263
Entamoeba histolytica	hypothetical protein	0.0087	0.3499	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1614	0.4614
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0592	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0086	0.3479	0.3423
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.001	0.0085	0.0243
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0592	0.0511
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0014	0.0235	0.2951
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0592	0.1691
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0592	0.0511
Entamoeba histolytica	protein kinase, putative	0.0087	0.3499	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0592	0.1691
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2377	0.6793
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0592	0.1691
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2377	0.3468
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2377	0.6793
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0014	0.0235	0.0151
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0233	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0592	0.1691
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0085	0.0243
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.001	0.0085	0.0243
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0139	0.0055
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0	0.5
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.001	0.0097	0.0012
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1614	0.4614
Schistosoma mansoni	nuclear receptor nhr-48	0.001	0.0085	0.0124
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0085	0.0124
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0592	0.0511
Echinococcus granulosus	thyroid hormone receptor alpha	0.001	0.0085	0.0243
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0011	0.0139	0.0055
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0592	0.0511
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0592	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0014	0.0235	0.0342
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0592	0.1691
Schistosoma mansoni	fad oxidoreductase	0.0014	0.0235	0.0342
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0085	0.0243
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0014	0.0235	0.2951
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0149	0.6252	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2377	0.2311
Brugia malayi	steroid hormone receptor	0.0022	0.0592	0.0511
Brugia malayi	TAR-binding protein	0.0062	0.2377	0.2311
Brugia malayi	metabotropic glutamate receptor type 2	0.002	0.0516	0.0435
Trichomonas vaginalis	ferritin, putative	0.0008	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0592	0.0511
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0592	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0055
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0087	0.3499	1
Schistosoma mansoni	nuclear hormone receptor	0.0022	0.0592	0.0863
Toxoplasma gondii	hypothetical protein	0.0014	0.0235	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0022	0.0592	0.0863
Loa Loa (eye worm)	hypothetical protein	0.005	0.1864	0.1794
Echinococcus granulosus	nuclear receptor nhr 48	0.001	0.0085	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0086	0.3479	0.3423
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0592	0.0511
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0014	0.0235	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0055
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0139	0.0055
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0592	0.1691
Schistosoma mansoni	NAD dehydrogenase	0.0014	0.0235	0.0342
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0014	0.0235	0.0671
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0014	0.0235	0.0342
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0592	0.1691
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0014	0.0235	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0592	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0235	0.0151
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.3499	0.5105
Schistosoma mansoni	d-amino acid oxidase	0.0162	0.6854	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0011	0.0139	0.0398
Schistosoma mansoni	retinoic acid receptor RXR	0.0022	0.0592	0.0863
Entamoeba histolytica	protein kinase, putative	0.0087	0.3499	1
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0014	0.0235	0.0151
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0139	0.0203
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0162	0.6854	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2377	0.3468
Loa Loa (eye worm)	hypothetical protein	0.001	0.0097	0.0012
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0592	0.1691
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0022	0.0592	0.0863
Brugia malayi	Receptor family ligand binding region containing protein	0.001	0.0097	0.0012
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0014	0.0235	0.0342
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0592	0.0511
Loa Loa (eye worm)	glutamate receptor	0.0041	0.1445	0.1372
Echinococcus granulosus	dual specificity	0.0087	0.3499	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.4804	0.476
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1614	0.2355
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.3499	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0046	0.1694	0.2471
Brugia malayi	nuclear receptor RXR	0.0011	0.0139	0.0055
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0592	0.0511
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0022	0.0592	0.0863
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0034	0.1151	0.329
Onchocerca volvulus	Protein ultraspiracle homolog	0.0022	0.0592	1
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0014	0.0235	0.0671
Onchocerca volvulus	Bile acid receptor homolog	0.0022	0.0592	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Echinococcus granulosus	Nuclear hormone receptor HR96	0.001	0.0085	0.0243
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0034	0.1151	0.329
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.001	0.0085	0.0243
Schistosoma mansoni	metabotropic glutamate receptor	0.0034	0.1151	0.1679
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0592	0.0511
Schistosoma mansoni	RAR-like nuclear receptor	0.0022	0.0592	0.0863
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0592	0.1691
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0014	0.0235	0.0151
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.001	0.0085	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Brugia malayi	hypothetical protein	0.0011	0.0139	0.0055
Brugia malayi	cDNA sequence BC016226	0.0014	0.0235	0.0151
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.4804	0.476
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0014	0.0235	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0592	0.0511
Echinococcus multilocularis	dual specificity	0.0087	0.3499	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.3499	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1614	0.4614
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1614	0.4614
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0022	0.0592	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0592	0.0511
Onchocerca volvulus		0.0022	0.0592	1
Schistosoma mansoni	zinc finger protein	0.001	0.0085	0.0124
Brugia malayi	MH2 domain containing protein	0.0116	0.4804	0.476
Schistosoma mansoni	fad oxidoreductase	0.0014	0.0235	0.0342

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative potency (functional)	= 11	Effect of the compound on serum VLDL+LDL cholesterol (relative to cholestipol hydrochloride) at a dose of 50 mg/kg BW per day	ChEMBL.	1560437

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 25814