TDR Targets

Basic information

Technical information

TDR Targets ID: 1836580
Name: (E)-1-(2,5-dimethylfuran-3-yl)-3-(4-hydroxyph enyl)prop-2-en-1-one
MW: 242.27 | Formula: C15H14O3
H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=C/C(=O)c1cc(oc1C)C
InChi: 1S/C15H14O3/c1-10-9-14(11(2)18-10)15(17)8-5-12-3-6-13(16)7-4-12/h3-9,16H,1-2H3/b8-5+
InChiKey: BDQYXMYNSAXMOQ-VMPITWQZSA-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

(E)-1-(2,5-dimethyl-3-furyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
ZINC07910080

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	exodeoxyribonuclease III protein XthA	0.0017	0.0035	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0299	0.4075	0.4597
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0299	0.4075	0.4075
Brugia malayi	tailless protein	0.0299	0.4075	0.4597
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0634	0.8865	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0035	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0359	0.0405
Schistosoma mansoni	thyroid hormone receptor	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0017	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Brugia malayi	hypothetical protein	0.0335	0.4588	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0634	0.8865	1
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0634	0.8865	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0634	0.8865	1
Brugia malayi	nuclear receptor RXR	0.0335	0.4588	0.5175
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0335	0.4588	0.5175
Brugia malayi	MH2 domain containing protein	0.0207	0.2763	0.3117
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0359	0.0405
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0634	0.8865	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0634	0.8865	0.8865
Toxoplasma gondii	exonuclease III APE	0.0017	0.0035	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0017	0.0035	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0634	0.8865	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0634	0.8865	1
Echinococcus granulosus	FTZ F1 alpha	0.0634	0.8865	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0017	0.0035	0.0039
Brugia malayi	nuclear receptor NHR-67	0.0299	0.4075	0.4597
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0634	0.8865	0.8865
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0017	0.0035	0.0035
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0035	0.5
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0299	0.4075	0.4597
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0299	0.4075	0.4075
Brugia malayi	nuclear hormone receptor	0.0634	0.8865	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0335	0.4588	0.5175
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0299	0.4075	0.4597
Schistosoma mansoni	nuclear hormone receptor	0.0634	0.8865	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0634	0.8865	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0634	0.8865	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0634	0.8865	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0299	0.4075	0.4597
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0035	0.5
Brugia malayi	nuclear hormone receptor family member odr-7	0.0299	0.4075	0.4597
Brugia malayi	Nuclear hormone receptor E75	0.0299	0.4075	0.4597
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0299	0.4075	0.4597
Echinococcus granulosus	geminin	0.0149	0.193	0.2177
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0634	0.8865	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0634	0.8865	0.8865
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0335	0.4588	0.4588
Brugia malayi	Nuclear hormone receptor-like 1	0.0335	0.4588	0.5175
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0634	0.8865	0.8865
Brugia malayi	conserved hypotetical protein	0.0299	0.4075	0.4597
Schistosoma mansoni	nuclear receptor	0.0299	0.4075	0.4597
Schistosoma mansoni	ap endonuclease	0.0017	0.0035	0.0039
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0359	0.0359
Schistosoma mansoni	zinc finger protein	0.0299	0.4075	0.4597
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0335	0.4588	0.5175
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0634	0.8865	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0299	0.4075	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Brugia malayi	nuclear receptor NHR-88	0.0299	0.4075	0.4597
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0634	0.8865	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0299	0.4075	0.4075
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0634	0.8865	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0017	0.0035	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0299	0.4075	0.4597
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0299	0.4075	0.4597
Loa Loa (eye worm)	MH2 domain-containing protein	0.0207	0.2763	0.3117
Echinococcus granulosus	thyroid hormone receptor alpha	0.0299	0.4075	0.4597
Schistosoma mansoni	nuclear receptor nhr-48	0.0299	0.4075	0.4597
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0634	0.8865	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0299	0.4075	0.4075
Brugia malayi	steroid hormone receptor	0.0634	0.8865	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0634	0.8865	1
Brugia malayi	hypothetical protein	0.0299	0.4075	0.4597
Schistosoma mansoni	nuclear receptor	0.0299	0.4075	0.4597
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0634	0.8865	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0634	0.8865	1
Schistosoma mansoni	ap endonuclease	0.0017	0.0035	0.0039
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0299	0.4075	0.4597
Schistosoma mansoni	coup transcription factor	0.0634	0.8865	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0634	0.8865	1
Brugia malayi	Nuclear hormone receptor E75	0.0299	0.4075	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0299	0.4075	0.4597
Brugia malayi	Nuclear hormone receptor-like 1	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Schistosoma mansoni	hypothetical protein	0.0149	0.193	0.2177
Echinococcus multilocularis	FTZ F1 alpha	0.0634	0.8865	0.8865
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0039	0.0359	0.0405
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0634	0.8865	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0335	0.4588	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0035	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0634	0.8865	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0634	0.8865	1
Brugia malayi	Steroid receptor seven-up type 2	0.0634	0.8865	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0634	0.8865	0.8865
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0017	0.0035	0.5
Brugia malayi	ecdysteroid receptor	0.0634	0.8865	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0299	0.4075	0.4597
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0359	0.0359
Echinococcus multilocularis	ecdysone induced protein 78C	0.0634	0.8865	0.8865
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0634	0.8865	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0017	0.0035	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0634	0.8865	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0299	0.4075	0.4597
Loa Loa (eye worm)	DR-78	0.0299	0.4075	0.4597
Schistosoma mansoni	thyroid hormone receptor	0.0634	0.8865	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0335	0.4588	0.5175
Schistosoma mansoni	nuclear hormone receptor	0.0299	0.4075	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0335	0.4588	0.5175
Echinococcus granulosus	ecdysone induced protein 78C	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0634	0.8865	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0634	0.8865	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0634	0.8865	1
Onchocerca volvulus	Bile acid receptor homolog	0.0634	0.8865	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0017	0.0035	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0634	0.8865	1
Brugia malayi	nuclear hormone receptor	0.0299	0.4075	0.4597
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0359	0.0405
Onchocerca volvulus		0.0634	0.8865	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0634	0.8865	0.8865
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0039	0.0359	0.0405
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0359	0.0405
Brugia malayi	hypothetical protein	0.0299	0.4075	0.4597
Schistosoma mansoni	RAR-like nuclear receptor	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Echinococcus multilocularis	geminin	0.0149	0.193	0.193
Loa Loa (eye worm)	steroid hormone receptor	0.0634	0.8865	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0634	0.8865	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0299	0.4075	0.4075
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0634	0.8865	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0634	0.8865	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0335	0.4588	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0335	0.4588	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0634	0.8865	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0634	0.8865	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0634	0.8865	0.8865
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0634	0.8865	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0299	0.4075	0.4075
Loa Loa (eye worm)	hypothetical protein	0.0335	0.4588	0.5175
Brugia malayi	nuclear receptor RXR	0.0299	0.4075	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0207	0.2763	0.3117
Brugia malayi	nuclear receptor NHR-88	0.0634	0.8865	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0017	0.0035	0.0039
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0634	0.8865	1
Brugia malayi	hypothetical protein	0.0335	0.4588	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0359	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0335	0.4588	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Schistosoma mansoni	hypothetical protein	0.0149	0.193	0.2177
Brugia malayi	ecdysone receptor	0.0299	0.4075	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Brugia malayi	orphan nuclear receptor NR2E1	0.0299	0.4075	0.4597
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0017	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0299	0.4075	0.4597
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0017	0.0035	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0634	0.8865	1
Schistosoma mansoni	nuclear hormone receptor	0.0299	0.4075	0.4597
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0035	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 13.5 uM	Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as inhibition of IFN-gamma/LPS-induced NO production after 17 to 20 hr by Griess assay	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23

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: CHEMBL2261902

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 1836580