TDR Targets

Basic information

Technical information

TDR Targets ID: 155473
Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4- dimethylphenyl)prop-2-en-1-one
MW: 312.36 | Formula: C19H20O4
H donors: 1 H acceptors: 2 LogP: 4.56 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/C=C/C(=O)c2ccc(c(c2O)C)C)ccc1OC
InChi: 1S/C19H20O4/c1-12-5-8-15(19(21)13(12)2)16(20)9-6-14-7-10-17(22-3)18(11-14)23-4/h5-11,21H,1-4H3/b9-6+
InChiKey: RGNFTWDUVXKLBP-RMKNXTFCSA-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)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4-dimethyl-phenyl)prop-2-en-1-one
(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4-dimethylphenyl)-2-propen-1-one

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
Brugia malayi	hypothetical protein	0.0017	0.0051	0.0072
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0103	0.0158
Echinococcus multilocularis	smad	0.0025	0.0199	0.0318
Trypanosoma brucei	unspecified product	0.002	0.0103	0.0331
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0192	0.3008	0.9642
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.1427	0.4393
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0205	0.0338
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0315	0.0704
Leishmania major	hypothetical protein, conserved	0.0026	0.0205	0.0338
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0199	0.0318
Brugia malayi	hypothetical protein	0.0026	0.0205	0.0327
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0192	0.3008	0.4961
Schistosoma mansoni	hypothetical protein	0.0032	0.0315	0.0704
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0199	0.0318
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0198	0.3116	1
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Brugia malayi	MH1 domain containing protein	0.0025	0.0199	0.0316
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Echinococcus granulosus	smad	0.0025	0.0199	0.0318
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0025	0.0199	0.0318
Loa Loa (eye worm)	Smad1	0.0025	0.0199	0.0316
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Echinococcus granulosus	GPCR family 2	0.0032	0.0315	0.0704
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0192	0.3008	0.9642
Loa Loa (eye worm)	MH2 domain-containing protein	0.0372	0.6057	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0025	0.0199	0.0318
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0315	0.0704
Trypanosoma cruzi	polo-like protein kinase, putative	0.0198	0.3116	1
Schistosoma mansoni	kinase	0.0101	0.1471	0.4539
Schistosoma mansoni	Smad4	0.0025	0.0199	0.0318
Leishmania major	DNA polymerase eta, putative	0.0032	0.0313	0.0696
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0315	0.0704
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0315	0.0509
Schistosoma mansoni	hypothetical protein	0.0032	0.0315	0.0704
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0103	0.0158
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0198	0.3116	1
Schistosoma mansoni	hypothetical protein	0.007	0.0947	0.2801
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Schistosoma mansoni	DNA polymerase eta	0.0046	0.0542	0.1457
Schistosoma mansoni	hypothetical protein	0.0032	0.0315	0.0704
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1492	0.2454
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0606	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0315	0.0509
Trypanosoma cruzi	polo-like protein kinase, putative	0.0198	0.3116	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0198	0.3116	1
Trypanosoma brucei	polo-like protein kinase	0.0198	0.3116	1
Trichomonas vaginalis	CAMK family protein kinase	0.0098	0.1427	0.4393
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0025	0.0199	0.0318
Schistosoma mansoni	hypothetical protein	0.0032	0.0315	0.0704
Loa Loa (eye worm)	MH2 domain-containing protein	0.0025	0.0199	0.0316
Trypanosoma brucei	DNA polymerase eta, putative	0.0046	0.0542	0.174
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.1492	0.2454
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.1492	0.2454
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0205	0.0658
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0025	0.0199	0.0318
Brugia malayi	Smad1	0.0025	0.0199	0.0316
Echinococcus granulosus	dna polymerase eta	0.0046	0.0542	0.1457
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0192	0.3008	0.9642
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0025	0.0199	0.0318
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0198	0.3116	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0025	0.0199	0.0316
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Brugia malayi	MH2 domain containing protein	0.0372	0.6057	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0198	0.3116	0.5139
Schistosoma mansoni	smad	0.0025	0.0199	0.0318
Leishmania major	DNA polymerase eta, putative	0.0046	0.0542	0.1457
Trichomonas vaginalis	CAMK family protein kinase	0.0198	0.3116	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0046	0.0542	0.1457
Brugia malayi	MH2 domain containing protein	0.0025	0.0199	0.0316
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Echinococcus multilocularis	Smad4	0.0025	0.0199	0.0318
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0192	0.3008	0.9642
Echinococcus multilocularis	dna polymerase eta	0.0046	0.0542	0.1457
Brugia malayi	ImpB/MucB/SamB family protein	0.0046	0.0542	0.0884
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0315	0.0704
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0313	0.0696
Treponema pallidum	hypothetical protein	0.0606	1	0.5
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0606	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0372	0.6057	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0315	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0205	0.0327
Brugia malayi	serine/threonine-protein kinase plk-2	0.0198	0.3116	0.5139
Giardia lamblia	Kinase, PLK	0.0198	0.3116	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0103	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0542	0.0884
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0192	0.3008	0.9642
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0103	0.0331
Schistosoma mansoni	serine/threonine protein kinase	0.0198	0.3116	1
Brugia malayi	MH2 domain containing protein	0.0025	0.0199	0.0316
Loa Loa (eye worm)	hypothetical protein	0.007	0.0947	0.1554
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0606	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0192	0.3008	0.4961
Echinococcus granulosus	Smad4	0.0025	0.0199	0.0318
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.1492	0.2454
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0315	0.0509
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0103	0.0331
Brugia malayi	MH1 domain containing protein	0.0025	0.0199	0.0316
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0192	0.3008	0.9642
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0315	0.0704
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0313	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0103	0.0331
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0947	0.1554
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0205	0.0338
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0198	0.3116	0.5
Schistosoma mansoni	smad1 5 8 and	0.0025	0.0199	0.0318
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0192	0.3008	0.9642
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0606	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 95 uM	Inhibition of microsomal lipid peroxidation induced by CCl4/NADPH at 100 uM concentration	ChEMBL.	7629818
Inhibition (functional)	= 8.2 %	Inhibition of microsomal lipid peroxidation induced by [Fe2+]/ascorbate at 100 uM concentration	ChEMBL.	7629818
Inhibition (binding)	= 27.5 %	Inhibitory activity of the compound against synovial human recombinant phospholipase (hr-PLA2) at 100 uM concentration	ChEMBL.	7629818
Inhibition (binding)	= 27.5 %	Inhibitory activity of the compound against synovial human recombinant phospholipase (hr-PLA2) at 100 uM concentration	ChEMBL.	7629818
Inhibition (functional)	= 28.1 %	Inhibitory activity of the compound against TXB2 generation at 100 uM concentration	ChEMBL.	7629818
Inhibition (functional)	= 28.1 %	Inhibitory activity of the compound against TXB2 generation at 100 uM concentration	ChEMBL.	7629818
Inhibition (functional)	= 28.8 %	Percent inhibition was evaluated by measuring the inhibition of peroxyl scavenging activity	ChEMBL.	7629818
Inhibition (functional)	= 39.6 %	Inhibitory activity of the compound against elastase release by human neutrophils	ChEMBL.	7629818
Inhibition (functional)	= 39.6 %	Inhibitory activity of the compound against elastase release by human neutrophils	ChEMBL.	7629818
Inhibition (functional)	= 51 %	Inhibition of microsomal lipid peroxidation induced by [Fe3+]-ADP/NADPH at 100 uM concentration	ChEMBL.	7629818
Inhibition (functional)	= 55.3 %	Inhibition of microsomal lipid peroxidation induced by CCl4/NADPH	ChEMBL.	7629818

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: CHEMBL96684
PubChem: 9972799

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 155473