TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.552 | Formula: C25H36O2
H donors: 2 H acceptors: 2 LogP: 6.84 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCC(/C(=C/C(C(/C(=C/C(=C/C(/C=C/c1ccccc1)C)/C)/C)O)C)/C)O
InChi: 1S/C25H36O2/c1-7-24(26)20(4)17-22(6)25(27)21(5)16-19(3)15-18(2)13-14-23-11-9-8-10-12-23/h8-18,22,24-27H,7H2,1-6H3/b14-13+,19-15+,20-17+,21-16+
InChiKey: YLFWWEOWHPOZJW-LPSDNXKQSA-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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.9142	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0005	0.0091	0.0343
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0005	0.0091	0.01
Brugia malayi	hypothetical protein	0.0005	0.0091	0.0091
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0005	0.0091	0.01
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0652	0.0714
Brugia malayi	hypothetical protein	0.0005	0.0151	0.0151
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0652	0.0714
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0091	0.01
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0151	0.0151
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0652	0.0714
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0005	0.0091	0.01
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0652	0.0652
Echinococcus granulosus	GPCR family 2	0.0032	0.2884	0.3154
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0005	0.0091	0.0091
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0652	0.0652
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0652	0.0714
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0652	0.0714
Schistosoma mansoni	cpg binding protein	0.0031	0.2831	0.3097
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0652	0.0652
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0652	0.0714
Echinococcus multilocularis	nuclear receptor nhr 48	0.0005	0.0091	0.01
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0652	0.0714
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0005	0.0091	0.01
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0652	0.0714
Schistosoma mansoni	hypothetical protein	0.0032	0.2884	0.3154
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0652	0.2456
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0652	0.0652
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.2884	0.2884
Brugia malayi	Nuclear hormone receptor E75	0.0005	0.0091	0.0091
Brugia malayi	orphan nuclear receptor NR2E1	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0151	0.0151
Schistosoma mansoni	coup transcription factor	0.001	0.0652	0.0714
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0652	0.0714
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.2884	0.3154
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0351	0.0384
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0652	0.0714
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0652	0.0652
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0652	0.0652
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0652	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0151	0.0151
Brugia malayi	conserved hypotetical protein	0.0005	0.0091	0.0091
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.9142	1
Brugia malayi	CXXC zinc finger family protein	0.003	0.2656	0.2656
Echinococcus granulosus	nuclear receptor nhr 48	0.0005	0.0091	0.01
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0652	0.0714
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0538	0.0538
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0351	0.0384
Brugia malayi	Nuclear hormone receptor E75	0.0005	0.0091	0.0091
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.9142	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0005	0.0151	0.0165
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0005	0.0091	0.01
Brugia malayi	nuclear hormone receptor family member odr-7	0.0005	0.0091	0.0091
Onchocerca volvulus		0.0005	0.0091	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0151	0.0151
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0351	0.0384
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.9142	0.9142
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0351	0.0384
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0652	0.0714
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0005	0.0091	0.01
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Brugia malayi	nuclear receptor NHR-67	0.0005	0.0091	0.0091
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0284	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0652	0.0652
Brugia malayi	ecdysteroid receptor	0.001	0.0652	0.0652
Echinococcus multilocularis	cpg binding protein	0.0031	0.2831	0.3097
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0652	0.0652
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0005	0.0091	0.0091
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0284	1
Onchocerca volvulus		0.001	0.0652	0.2456
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0652	0.0714
Brugia malayi	Nuclear hormone receptor-like 1	0.0005	0.0151	0.0151
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0652	0.0714
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0005	0.0091	0.0343
Brugia malayi	nuclear hormone receptor	0.0005	0.0091	0.0091
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0284	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0652	0.0714
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0005	0.0091	0.01
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0652	0.0652
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.2884	0.2884
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.2656	0.2656
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0652	0.0652
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0284	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0284	1
Schistosoma mansoni	nuclear receptor	0.0005	0.0091	0.01
Brugia malayi	nuclear receptor NHR-88	0.0005	0.0091	0.0091
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0652	0.0652
Echinococcus granulosus	thyroid hormone receptor alpha	0.0005	0.0091	0.01
Loa Loa (eye worm)	hypothetical protein	0.0101	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.2884	0.2884
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0151	0.0151
Schistosoma mansoni	hypothetical protein	0.0069	0.6706	0.7336
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0652	0.0652
Loa Loa (eye worm)	nuclear hormone receptor	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Schistosoma mansoni	cpg binding protein	0.003	0.2656	0.2905
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.2884	0.3154
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0652	0.0714
Schistosoma mansoni	zinc finger protein	0.0005	0.0091	0.01
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0538	0.0589
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0005	0.0091	0.0091
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0284	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0652	0.0652
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0652	0.2456
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0091	0.01
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0652	0.0652
Brugia malayi	nuclear receptor RXR	0.0005	0.0091	0.0091
Schistosoma mansoni	hypothetical protein	0.0032	0.2884	0.3154
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0029	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0005	0.0091	0.01
Onchocerca volvulus		0.003	0.2656	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.2884	0.3154
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0151	0.0151
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.9142	0.9142
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0005	0.0091	0.01
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0652	0.0714
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0652	0.2456
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0652	0.0652
Brugia malayi	ecdysone receptor	0.0005	0.0091	0.0091
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0652	0.0652
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0284	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0005	0.0091	0.01
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0652	0.0714
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0652	0.0714
Brugia malayi	hypothetical protein	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.9142	1
Schistosoma mansoni	hypothetical protein	0.0032	0.2884	0.3154
Loa Loa (eye worm)	DR-78	0.0005	0.0091	0.0091
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.9142	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0652	0.0652
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0652	0.0714
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.9142	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0005	0.0091	0.01
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0005	0.0151	0.0165
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0652	0.0652
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0652	0.0652
Brugia malayi	nuclear receptor RXR	0.0005	0.0151	0.0151
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0652	0.0652
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.6706	0.6706
Loa Loa (eye worm)	hypothetical protein	0.0032	0.2884	0.2884
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.2884	0.3154
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0284	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Schistosoma mansoni	hypothetical protein	0.0032	0.2884	0.3154
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0652	0.0714
Brugia malayi	tailless protein	0.0005	0.0091	0.0091
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0652	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0005	0.0091	0.0091
Brugia malayi	hypothetical protein	0.0005	0.0151	0.0151
Brugia malayi	nuclear hormone receptor	0.001	0.0652	0.0652
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0652	0.0714
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0652	0.0714
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0005	0.0151	0.0151
Brugia malayi	steroid hormone receptor	0.001	0.0652	0.0652
Schistosoma mansoni	nuclear receptor nhr-48	0.0005	0.0091	0.01
Brugia malayi	nuclear receptor NHR-88	0.001	0.0652	0.0652
Echinococcus granulosus	cpg binding protein	0.0031	0.2831	0.3097
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0652	0.0652
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0538	0.0589
Echinococcus multilocularis	GPCR, family 2	0.0032	0.2884	0.3154
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0526	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Entamoeba histolytica	G protein alpha subunit, putative	0.0004	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0652	0.0652
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0652	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Trichomonas vaginalis	helicase, putative	0.0007	0.0284	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0005	0.0151	0.0165
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0652	0.0714
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.9142	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.001	0.0652	0.0652
Onchocerca volvulus		0.0005	0.0091	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0069	0.6706	0.6706
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0652	0.0714
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0351	0.0384
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0652	0.0714
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0005	0.0151	0.0165
Schistosoma mansoni	cpg binding protein	0.0031	0.2831	0.3097
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.6094	0.6666
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0652	0.0652
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0652	0.0714
Schistosoma mansoni	nuclear receptor	0.0005	0.0091	0.01
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0652	0.0714
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0284	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.5399	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	1	1

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: CHEMBL1224903

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 1172681