TDR Targets

Basic information

Technical information

TDR Targets ID: 1312730
Name: 5,7-dihydroxy-4-(4-methoxyphenyl)chroman-2-on e
MW: 286.279 | Formula: C16H14O5
H donors: 2 H acceptors: 3 LogP: 2.36 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C1CC(=O)Oc2c1c(O)cc(c2)O
InChi: 1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-15(19)21-14-7-10(17)6-13(18)16(12)14/h2-7,12,17-18H,8H2,1H3
InChiKey: OKBWVJGQTFYYQA-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

5,7-dihydroxy-4-(4-methoxyphenyl)-2-chromanone
MEGxp0_001736
MLS000863585
SMR000440734
ACon1_000182

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	p450 reductase, putative	0.0072	0.036	0.036
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0636	1	1
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Leishmania major	hypothetical protein, conserved	0.0243	0.3284	0.3033
Toxoplasma gondii	flavodoxin domain-containing protein	0.0316	0.452	1
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.2407	1
Trypanosoma brucei	oxidoreductase-protein, putative	0.0072	0.036	0.036
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Brugia malayi	isocitrate dehydrogenase	0.0174	0.2103	0.1981
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0243	0.3284	0.3284
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0321	0.4603	0.4402
Trypanosoma brucei	nitrate reductase, putative	0.0072	0.036	0.036
Brugia malayi	FAD binding domain containing protein	0.0636	1	1
Plasmodium falciparum	nitric oxide synthase, putative	0.0636	1	1
Entamoeba histolytica	type A flavoprotein, putative	0.0243	0.3284	0.5
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0636	1	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0636	1	1
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0072	0.036	0.036
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0636	1	1
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0072	0.036	0.0211
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0072	0.036	0.036
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0174	0.2103	0.1808
Trypanosoma cruzi	reductase, putative	0.0072	0.036	0.036
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0636	1	1
Plasmodium vivax	flavodoxin domain containing protein	0.0564	0.8764	0.8717
Trypanosoma cruzi	oxidoreductase-protein, putative	0.0072	0.036	0.036
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0072	0.036	0.036
Schistosoma mansoni	diflavin oxidoreductase	0.0316	0.452	0.4316
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Schistosoma mansoni	cytochrome P450 reductase	0.0636	1	1
Trichomonas vaginalis	sulfite reductase, putative	0.0636	1	1
Brugia malayi	flavodoxin family protein	0.0243	0.3284	0.318
Onchocerca volvulus		0.0072	0.036	0.5
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0564	0.8764	0.8159
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0192	0.0192
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0636	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0174	0.2103	0.4496
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0174	0.2103	0.1808
Echinococcus multilocularis	methionine synthase reductase	0.0393	0.584	0.5684
Leishmania major	cytochrome P450 reductase, putative	0.0564	0.8764	0.8717
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0393	0.584	0.5775
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.5356	0.5356
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0636	1	1
Brugia malayi	diaphorase	0.0072	0.036	0.0211
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0243	0.3284	0.3284
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0636	1	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0174	0.2103	0.1808
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0243	0.3284	0.3033
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2073	0.1777
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0243	0.3284	0.3284
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0636	1	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0072	0.036	0.036
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0636	1	1
Entamoeba histolytica	type A flavoprotein, putative	0.0243	0.3284	0.5
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0174	0.2103	0.2103
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0174	0.2103	0.1808
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0243	0.3284	0.3284
Leishmania major	p450 reductase, putative	0.0636	1	1
Treponema pallidum	flavodoxin	0.0243	0.3284	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0174	0.2103	0.4496
Entamoeba histolytica	type A flavoprotein, putative	0.0243	0.3284	0.5
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0174	0.2103	0.1808
Trypanosoma brucei	NADH-cytochrome b5 reductase-like protein	0.0072	0.036	0.036
Trypanosoma cruzi	p450 reductase, putative	0.0636	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0174	0.2103	0.1808
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.5356	0.5183
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Chlamydia trachomatis	sulfite reductase	0.0393	0.584	1
Trypanosoma cruzi	nitrate reductase, putative	0.0072	0.036	0.036
Toxoplasma gondii	ferredoxin NADP+ oxidoreductase FNR	0.0072	0.036	0.0526
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2073	0.2073
Giardia lamblia	Hypothetical protein	0.0564	0.8764	1
Echinococcus granulosus	methionine synthase reductase	0.0393	0.584	0.5684
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0174	0.2103	0.2103
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0174	0.2103	0.8518
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.5356	0.5356
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0174	0.2103	0.1981
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0636	1	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0174	0.2103	0.1808
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0174	0.2103	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0636	1	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0636	1	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0174	0.2103	0.1808
Mycobacterium ulcerans	hypothetical protein	0.0192	0.2407	0.2123
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0636	1	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0393	0.584	0.5684
Brugia malayi	Isocitrate dehydrogenase	0.0174	0.2103	0.1981
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0174	0.2103	0.1808
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.5356	0.5356
Loa Loa (eye worm)	flavodoxin family protein	0.0243	0.3284	0.318
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0174	0.2103	0.1808
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Toxoplasma gondii	NADH-cytochrome b5 reductase 1, putative	0.0072	0.036	0.0526
Entamoeba histolytica	type A flavoprotein, putative	0.0243	0.3284	0.5
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Plasmodium vivax	hypothetical protein, conserved	0.0243	0.3284	0.3033
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0243	0.3284	0.3033
Loa Loa (eye worm)	diaphorase	0.0072	0.036	0.0211
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0636	1	1
Giardia lamblia	Nitric oxide synthase, inducible	0.0564	0.8764	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.2073	0.2073
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0174	0.2103	0.2103
Brugia malayi	FAD binding domain containing protein	0.0393	0.584	0.5775
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0072	0.036	0.036
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0072	0.036	0.036
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0072	0.036	0.036
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0636	1	1
Entamoeba histolytica	type A flavoprotein, putative	0.0243	0.3284	0.5
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0072	0.036	0.0211
Toxoplasma gondii	flavodoxin domain-containing protein	0.0316	0.452	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.6679 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1462855

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 1312730