TDR Targets

Basic information

Technical information

TDR Targets ID: 1433385
Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R)-3,4,5-t rihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychrom en-4-one
MW: 432.378 | Formula: C21H20O10
H donors: 6 H acceptors: 7 LogP: 0.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: OCC1O[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)C(C(C1O)O)O
InChi: 1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16?,18?,19?,20?,21-/m0/s1
InChiKey: KMOUJOKENFFTPU-DFJPGDIZSA-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)-7-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-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
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	biogenic amine 5HT receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	fmrfamide receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	neuropeptide s receptor	0.0024	0.0076	0.0083
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0024	0.0076	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	g-protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	g protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	dro:myosuppressin receptor	0.0024	0.0076	0.0083
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0093	0.9121	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0093	0.9121	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0024	0.0076	0.0083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus multilocularis	neuropeptide receptor	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0024	0.0076	0.0083
Echinococcus multilocularis	g protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0024	0.0076	0.0083
Echinococcus multilocularis	nmda type glutamate receptor	0.008	0.7455	0.8174
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0093	0.9121	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0024	0.0076	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0093	0.9121	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0024	0.0076	0.0083
Echinococcus granulosus	sex peptide receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0082	0.7642	0.8379
Onchocerca volvulus		0.0024	0.0076	0.5
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus multilocularis	allatostatin A receptor	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	g-protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	neuropeptide receptor A26	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	glutamate receptor NMDA	0.0077	0.6972	0.7644
Echinococcus granulosus	tm gpcr rhodopsin	0.0024	0.0076	0.0083
Echinococcus granulosus	7TM GPCR rhodopsin	0.0024	0.0076	0.0083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	serotonin receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	neuropeptides capa receptor	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	g protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	g protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	g protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0024	0.0076	0.0083
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0024	0.0076	0.0083
Echinococcus multilocularis	G protein coupled receptor 139	0.0024	0.0076	0.0083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	hypothetical protein	0.0024	0.0076	0.0083
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0024	0.0076	0.0083
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0024	0.0076	0.0083
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0093	0.9121	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0024	0.0076	0.0083
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0024	0.0076	0.0083
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0024	0.0076	0.5
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	glutamate receptor NMDA	0.0077	0.6972	0.7644
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	orexin receptor type 2	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	allatostatin A receptor	0.0024	0.0076	0.0083
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0093	0.9121	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0093	0.9121	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	somatostatin receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	nmda type glutamate receptor	0.0084	0.7914	0.8677
Echinococcus granulosus	neuropeptide receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	serotonin receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	neuropeptide Y receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	sex peptide receptor	0.0024	0.0076	0.0083
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0093	0.9121	0.9114
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus multilocularis	g protein coupled receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	nmda type glutamate receptor	0.0084	0.7914	0.8677
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0024	0.0076	0.0083
Echinococcus granulosus	neuropeptide receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	neuropeptide Y receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	neuropeptide receptor A26	0.0024	0.0076	0.0083
Echinococcus multilocularis	fmrfamide receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	neuropeptide Y receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	G protein coupled receptor 139	0.0024	0.0076	0.0083
Echinococcus multilocularis	neuropeptide Y receptor	0.0024	0.0076	0.0083
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0082	0.7642	0.8365
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0024	0.0076	0.0083
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus multilocularis	orexin receptor type 2	0.0024	0.0076	0.0083
Echinococcus multilocularis	somatostatin receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0024	0.0076	0.0083
Echinococcus granulosus	nmda type glutamate receptor	0.008	0.7455	0.8174
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0082	0.7642	0.8379
Echinococcus multilocularis	serotonin receptor	0.0024	0.0076	0.0083
Echinococcus granulosus	tm gpcr rhodopsin	0.0024	0.0076	0.0083
Echinococcus granulosus	tm gpcr rhodopsin	0.0024	0.0076	0.0083
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0024	0.0076	0.0083
Onchocerca volvulus		0.0024	0.0076	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0024	0.0076	0.0083
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0082	0.7642	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0024	0.0076	0.0083
Echinococcus granulosus	dro:myosuppressin receptor	0.0024	0.0076	0.0083
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0024	0.0076	0.0083

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878]	ChEMBL.	No reference

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: CHEMBL1591566

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 1433385