TDR Targets

Basic information

Technical information

TDR Targets ID: 281009
Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethox ychromen-4-one
MW: 344.315 | Formula: C18H16O7
H donors: 2 H acceptors: 3 LogP: 3.14 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(oc2c(c1=O)c(O)cc(c2OC)OC)c1ccc(cc1)O
InChi: 1S/C18H16O7/c1-22-12-8-11(20)13-14(21)18(24-3)15(25-17(13)16(12)23-2)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
InChiKey: IUKBSFKDMZKGMT-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

5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-1-benzopyran-4-one
5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-chromone
5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4-chromenone
6586-29-4
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-
Herbacetin 3,7,8-trimethyl ether

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 granulosus	TWiK family of potassium channels protein 7	0.0052	0.0278	0.0246
Brugia malayi	Pre-SET motif family protein	0.0026	0.0042	0.0236
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0052	0.0278	0.1559
Echinococcus granulosus	biogenic amine 5HT receptor	0.014	0.1076	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0052	0.0278	0.1559
Brugia malayi	Pre-SET motif family protein	0.0182	0.1456	0.8161
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0052	0.0278	0.1559
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0052	0.0278	0.1559
Trichomonas vaginalis	set domain proteins, putative	0.0207	0.1684	1
Loa Loa (eye worm)	TWK-7 protein	0.0052	0.0278	0.0237
Trypanosoma cruzi	ion transport protein, putative	0.0052	0.0278	0.5
Schistosoma mansoni	hypothetical protein	0.0052	0.0278	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0303	0.0262
Loa Loa (eye worm)	hypothetical protein	0.014	0.1076	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0535	0.4667	0.4644
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0054	0.0297	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus multilocularis	small conductance calcium activated potassium	0.1121	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus granulosus	voltage dependent calcium channel subunit	0.1081	0.9635	0.9633
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0492	0.4276	0.4252
Leishmania major	hypothetical protein, conserved	0.0052	0.0278	0.5
Toxoplasma gondii	ion channel protein	0.0052	0.0278	1
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0052	0.0278	0.5
Onchocerca volvulus		0.0052	0.0278	0.1437
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Schistosoma mansoni	hypothetical protein	0.1121	1	1
Plasmodium vivax	potassium channel, putative	0.0052	0.0278	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0052	0.0278	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus granulosus	twik family of potassium channels	0.0052	0.0278	0.0246
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0052	0.0278	0.1559
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0052	0.0278	0.1559
Echinococcus multilocularis	serotonin receptor	0.014	0.1076	0.1038
Trypanosoma cruzi	ion transport protein, putative	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0453	0.0413
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0052	0.0278	0.1559
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0037	0.014	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Onchocerca volvulus		0.0052	0.0278	0.1437
Loa Loa (eye worm)	hypothetical protein	0.0218	0.1784	0.175
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0492	0.4276	0.4257
Echinococcus multilocularis	potassium channel subfamily K 8	0.0052	0.0278	0.0237
Onchocerca volvulus		0.0052	0.0278	0.1437
Onchocerca volvulus		0.0052	0.0278	0.1437
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus granulosus	jun protein	0.0073	0.0471	0.044
Echinococcus granulosus	potassium channel subfamily K 8	0.0052	0.0278	0.0246
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Echinococcus granulosus	calcium activated potassium channel variant	0.0052	0.0278	0.0246
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0052	0.0278	0.1559
Onchocerca volvulus		0.0207	0.1684	1
Onchocerca volvulus		0.0058	0.0328	0.1743
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0297	0.0256
Echinococcus granulosus	potassium channel subfamily K 8	0.0052	0.0278	0.0246
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0052	0.0278	0.0237
Leishmania major	calcium/potassium channel (CAKC), putative	0.0052	0.0278	0.5
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0238	0.1967	0.1967
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Brugia malayi	hypothetical protein	0.0052	0.0278	0.1559
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0052	0.0278	0.0237
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0042	0.0042
Loa Loa (eye worm)	glutamate receptor	0.0044	0.0205	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Giardia lamblia	Hypothetical protein	0.0052	0.0278	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0042	0.0042
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0182	0.1456	0.142
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Onchocerca volvulus		0.0052	0.0278	0.1437
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Echinococcus multilocularis	serotonin receptor	0.014	0.1076	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0052	0.0278	0.0237
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0052	0.0278	0.5
Echinococcus granulosus	potassium channel subfamily K	0.0052	0.0278	0.0246
Schistosoma mansoni	biogenic amine (5HT) receptor	0.014	0.1076	0.1076
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0054	0.0297	0.0256
Schistosoma mansoni	hypothetical protein	0.0254	0.2114	0.2114
Schistosoma mansoni	calcium-activated potassium channel	0.0052	0.0278	0.0278
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0052	0.0278	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Toxoplasma gondii	ion channel protein	0.0052	0.0278	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0052	0.0278	0.1559
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0052	0.0278	0.1559
Brugia malayi	Cache domain containing protein	0.0218	0.1784	1
Onchocerca volvulus		0.0052	0.0278	0.1437
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0044	0.0205	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0052	0.0278	0.1559
Schistosoma mansoni	calcium-activated potassium channel	0.0052	0.0278	0.0278
Brugia malayi	hypothetical protein	0.0052	0.0278	0.1559
Leishmania major	hypothetical protein, conserved	0.0052	0.0278	0.5
Plasmodium falciparum	potassium channel	0.0052	0.0278	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0278	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0052	0.0278	0.1559
Brugia malayi	hypothetical protein	0.0058	0.0328	0.1841
Echinococcus multilocularis	potassium channel subfamily K 8	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0052	0.0278	0.1559
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0052	0.0278	0.1559
Onchocerca volvulus		0.0052	0.0278	0.1437
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.1121	1	1
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.1076	0.1038
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0472	0.4093	0.4093
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Schistosoma mansoni	jun-related protein	0.006	0.0347	0.0347
Leishmania major	potassium channel subunit-like protein	0.0052	0.0278	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus granulosus	histone lysine methyltransferase setb	0.0026	0.0042	0.0009
Echinococcus multilocularis	calcium activated potassium channel variant	0.0052	0.0278	0.0237
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0052	0.0278	0.0246
Schistosoma mansoni	serine-rich repeat protein	0.0254	0.2114	0.2114
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0026	0.0042	0.0042
Schistosoma mansoni	calcium-activated potassium channel	0.1015	0.903	0.903
Echinococcus multilocularis	twik family of potassium channels	0.0052	0.0278	0.0237
Mycobacterium ulcerans	transmembrane cation transporter	0.0052	0.0278	0.5
Loa Loa (eye worm)	TWK-28 protein	0.0052	0.0278	0.0237
Leishmania major	ion transport protein-like protein	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Plasmodium falciparum	potassium channel	0.0052	0.0278	0.5
Brugia malayi	bZIP transcription factor family protein	0.0073	0.0471	0.2642
Loa Loa (eye worm)	hypothetical protein	0.048	0.4168	0.4144
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0052	0.0278	0.1559
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.004	0.0167	0.0937
Trypanosoma cruzi	hypothetical protein, conserved	0.0052	0.0278	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0073	0.0471	0.0431
Onchocerca volvulus		0.0052	0.0278	0.1437
Plasmodium vivax	potassium channel, putative	0.0052	0.0278	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0037	0.014	0.0098
Schistosoma mansoni	metabotropic glutamate receptor	0.0037	0.014	0.014
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0052	0.0278	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0052	0.0278	0.0278
Mycobacterium ulcerans	ion transport protein	0.0052	0.0278	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0052	0.0278	0.0237
Loa Loa (eye worm)	uncoordinated protein 58	0.0052	0.0278	0.0237
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1081	0.9635	0.9633
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0052	0.0278	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Echinococcus multilocularis	potassium channel subfamily K	0.0052	0.0278	0.0237
Schistosoma mansoni	hypothetical protein	0.0045	0.0216	0.0216
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.005	0.0259	0.0259
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0073	0.0471	0.044
Echinococcus multilocularis	jun protein	0.0073	0.0471	0.0431
Schistosoma mansoni	calcium-activated potassium channel	0.1121	1	1
Echinococcus granulosus	twik family of potassium channels	0.0052	0.0278	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Schistosoma mansoni	amine GPCR	0.0359	0.3069	0.3069
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0278	0.0237
Schistosoma mansoni	hypothetical protein	0.006	0.0347	0.0347

Activities

Activity type	Activity value	Assay description	Source	Reference
CyD50 (ADMET)	> 100 ug ml-1	Cytotoxic dose at which 50% growth of normal cells is inhibited	ChEMBL.	1847431
CyD50 (functional)	> 100 ug ml-1	Cytotoxic dose at which 50% growth of normal cells is inhibited against rhino virus infection.	ChEMBL.	1847431
ED99 (functional)	= 0.25 ug ml-1	Minimum drug concentration at which 99% of the polio virus is inhibited	ChEMBL.	1847431
ED99 (functional)	= 0.5 ug ml-1	Minimum drug concentration at which 99% of the rhino virus is inhibited.	ChEMBL.	1847431
mD (functional)	= 0.3 ug ml-1	Minimal dose which produces titer reduction at 10 ug/mL (mD RF10e3)	ChEMBL.	1847431
MNTD (functional)	= 25 ug ml-1	Maximal non-toxic dose (MNTD) that shows antiviral activity.	ChEMBL.	1847431
RF (functional)	= 1000000	The ratio of the poliovirus viral titer of the virus control (reduction factor) to the viral titer in the presence of the maximal non-toxic dose (RF MNTD)	ChEMBL.	1847431
TI 99 (functional)	> 200	Therapeutic Index measured as the ratio of CyD50(rhino)/ED99(rhino) values.	ChEMBL.	1847431
TI 99 (functional)	= 400	Therapeutic Index measured as the ratio of CyD50(polio) / ED99(polio) values	ChEMBL.	1847431

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: CHEMBL165890
PubChem: 5748562

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 281009