TDR Targets

Basic information

Technical information

TDR Targets ID: 973751
Name: 5-methoxy-3-[(4-methoxyphenyl)methyl]-7-methy lchromen-2-one
MW: 310.344 | Formula: C19H18O4
H donors: 0 H acceptors: 1 LogP: 4.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(C)cc2c1cc(Cc1ccc(cc1)OC)c(=O)o2
InChi: 1S/C19H18O4/c1-12-8-17(22-3)16-11-14(19(20)23-18(16)9-12)10-13-4-6-15(21-2)7-5-13/h4-9,11H,10H2,1-3H3
InChiKey: OZRLYIYCLOJIFZ-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-methoxy-3-[(4-methoxyphenyl)methyl]-7-methyl-chromen-2-one
5-methoxy-3-[(4-methoxyphenyl)methyl]-7-methyl-2-chromenone
5-methoxy-3-(4-methoxybenzyl)-7-methyl-coumarin

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cannabinoid receptor 2 (macrophage)	Starlite/ChEMBL	References
Rattus norvegicus	Cannabinoid CB1 receptor	Starlite/ChEMBL	References

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	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0041	0.0289	0.1179
Echinococcus granulosus	potassium channel subfamily K	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0382	0.3955	0.439
Schistosoma mansoni	hypothetical protein	0.0848	0.8982	1
Schistosoma mansoni	calcium-activated potassium channel	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0848	0.8982	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Brugia malayi	Heterochromatin protein 1	0.0081	0.0716	0.2922
Leishmania major	calcium/potassium channel (CAKC), putative	0.0041	0.0289	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0041	0.0289	0.1179
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Onchocerca volvulus		0.0276	0.2812	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0079	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.037	0.1251
Schistosoma mansoni	calcium-activated potassium channel	0.0848	0.8982	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Echinococcus granulosus	small conductance calcium activated potassium	0.0848	0.8982	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.037	0.1064
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0716	0.0697
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0289	0.0769
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0041	0.0289	0.1179
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0289	0.0769
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0217	0.0197
Entamoeba histolytica	hypothetical protein	0.0077	0.0668	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Onchocerca volvulus		0.0041	0.0289	0.0962
Leishmania major	hypothetical protein, conserved	0.0041	0.0289	1
Echinococcus granulosus	twik family of potassium channels	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0716	0.0697
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Loa Loa (eye worm)	heterochromatin protein 1	0.0081	0.0716	0.0776
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0289	1
Trichomonas vaginalis	set domain proteins, putative	0.0275	0.281	1
Entamoeba histolytica	hypothetical protein	0.0077	0.0668	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Brugia malayi	Uncoordinated protein 44	0.0016	0.002	0.0083
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0017	0.0022	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Brugia malayi	hypothetical protein	0.0077	0.0668	0.2726
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0079	0.0059
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0041	0.0289	0.1179
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0217	0.022
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0041	0.0289	0.1179
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0079	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.002	0.0083
Echinococcus granulosus	potassium channel subfamily K 8	0.0041	0.0289	0.03
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0289	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0217	0.0197
Leishmania major	hypothetical protein, conserved	0.0041	0.0289	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0041	0.0289	0.1179
Schistosoma mansoni	calcium-activated potassium channel	0.0807	0.8536	0.9503
Loa Loa (eye worm)	TWK-28 protein	0.0041	0.0289	0.03
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0289	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Toxoplasma gondii	ion channel protein	0.0041	0.0289	1
Echinococcus multilocularis	twik family of potassium channels	0.0041	0.0289	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Onchocerca volvulus		0.0041	0.0289	0.0962
Schistosoma mansoni	chromobox protein	0.0081	0.0716	0.0776
Onchocerca volvulus		0.0036	0.0227	0.074
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0289	0.0769
Echinococcus granulosus	chromobox protein 1	0.0081	0.0716	0.0776
Echinococcus granulosus	twik family of potassium channels	0.0041	0.0289	0.03
Onchocerca volvulus		0.0041	0.0289	0.0962
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0333	0.0928
Echinococcus multilocularis	potassium channel subfamily K 8	0.0041	0.0289	0.0269
Brugia malayi	chromobox protein homolog 3	0.0045	0.0333	0.1357
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0716	0.2333
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0041	0.0289	1
Schistosoma mansoni	chromobox protein	0.0081	0.0716	0.0776
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Echinococcus granulosus	calcium activated potassium channel variant	0.0041	0.0289	0.03
Echinococcus multilocularis	small conductance calcium activated potassium	0.0848	0.8982	0.898
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0217	0.022
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0041	0.0289	0.1179
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.0668	0.0649
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0041	0.0289	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0041	0.0289	0.1179
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Echinococcus multilocularis	potassium channel subfamily K	0.0041	0.0289	0.0269
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0079	0.0322
Echinococcus multilocularis	Ankyrin	0.0017	0.0022	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0333	0.0928
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0016	0.002	0.000000025978
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0041	0.0289	1
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0041	0.0289	0.0269
Onchocerca volvulus		0.0041	0.0289	0.0962
Toxoplasma gondii	ion channel protein	0.0041	0.0289	1
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0041	0.0289	0.3566
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.037	0.1064
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0041	0.0289	0.03
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0041	0.0289	0.1179
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0217	0.6588
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Schistosoma mansoni	calcium-activated potassium channel	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0022	0.0002
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0041	0.0289	0.1179
Entamoeba histolytica	hypothetical protein	0.0077	0.0668	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0217	0.022
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0041	0.0289	0.1179
Leishmania major	potassium channel subunit-like protein	0.0041	0.0289	1
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0716	0.2333
Plasmodium vivax	SET domain protein, putative	0.0035	0.0217	0.6588
Giardia lamblia	Hypothetical protein	0.0041	0.0289	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0048	0.036	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0041	0.0289	0.0269
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0041	0.0289	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0079	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Mycobacterium ulcerans	transmembrane cation transporter	0.0041	0.0289	1
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0041	0.0289	1
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0041	0.0289	1
Trypanosoma cruzi	ion transport protein, putative	0.0041	0.0289	1
Loa Loa (eye worm)	uncoordinated protein 58	0.0041	0.0289	0.03
Echinococcus granulosus	Ankyrin	0.0017	0.0022	0.0002
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0333	0.1118
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Onchocerca volvulus		0.0041	0.0289	0.0962
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0041	0.0289	0.03
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0041	0.0289	0.03
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Plasmodium vivax	potassium channel, putative	0.0041	0.0289	1
Echinococcus granulosus	chromobox protein 1	0.0081	0.0716	0.0776
Schistosoma mansoni	ankyrin 23/unc44	0.0016	0.002	0.00000002893
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0425	0.4425	0.4915
Mycobacterium ulcerans	ion transport protein	0.0041	0.0289	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0289	0.0769
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0016	0.002	0.00000002893
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.0668	0.0722
Onchocerca volvulus		0.0041	0.0289	0.0962
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0041	0.0289	1
Plasmodium falciparum	potassium channel	0.0041	0.0289	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0041	0.0289	0.1179
Echinococcus multilocularis	potassium channel subfamily K 8	0.0041	0.0289	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0227	0.023
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0333	0.0348
Schistosoma mansoni	ap endonuclease	0.0022	0.0079	0.0065
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0084	0.075	0.0814
Plasmodium falciparum	potassium channel	0.0041	0.0289	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0217	0.022
Leishmania major	ion transport protein-like protein	0.0041	0.0289	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.245	0.2711
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0041	0.0289	0.03
Brugia malayi	hypothetical protein	0.0041	0.0289	0.1179
Echinococcus granulosus	potassium channel subfamily K 8	0.0041	0.0289	0.03
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0041	0.0289	0.1179
Schistosoma mansoni	ap endonuclease	0.0022	0.0079	0.0065
Brugia malayi	Protein kinase domain containing protein	0.0016	0.002	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Schistosoma mansoni	hypothetical protein	0.0077	0.0668	0.0722
Schistosoma mansoni	twik family of potassium channels-related	0.0041	0.0289	0.03
Onchocerca volvulus		0.0041	0.0289	0.0962
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0041	0.0289	0.03
Plasmodium vivax	potassium channel, putative	0.0041	0.0289	1
Trypanosoma cruzi	ion transport protein, putative	0.0041	0.0289	1
Onchocerca volvulus		0.0048	0.036	0.1217
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0041	0.0289	0.1179
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.019	0.0406
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0041	0.0289	0.1179
Brugia malayi	hypothetical protein	0.0041	0.0289	0.1179
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0079	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.019	0.0406
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0217	0.022
Schistosoma mansoni	hypothetical protein	0.0041	0.0289	0.03
Echinococcus multilocularis	calcium activated potassium channel variant	0.0041	0.0289	0.0269
Echinococcus multilocularis	twik family of potassium channels	0.0041	0.0289	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0084	0.075	0.0731
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.0668	0.0722
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0041	0.0289	0.1179
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0041	0.0289	0.1179
Entamoeba histolytica	hypothetical protein	0.0077	0.0668	1
Loa Loa (eye worm)	TWK-7 protein	0.0041	0.0289	0.03
Brugia malayi	Pre-SET motif family protein	0.0035	0.0217	0.0887
Onchocerca volvulus		0.0041	0.0289	0.0962
Brugia malayi	Death domain containing protein	0.0016	0.002	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03
Brugia malayi	Pre-SET motif family protein	0.0242	0.245	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0289	0.03

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= -10 %	Inverse agonist activity at human recombinant cannabinoid CB1 receptor expressed in HEK293 cells assessed as decrease in GTPgammaS binding at 30 uM by liquid scintillation counting relative to CP-55940	ChEMBL.	19278853
Activity (functional)	= 13 %	Antagonist activity at cannabinoid CB1 receptor in rat brain cortical membrane assessed as effect on GTPgammaS binding at 30 uM by liquid scintillation counting relative to CP-55940	ChEMBL.	19278853
Ki (binding)	= 5.81 uM	Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells	ChEMBL.	19278853
Ki (binding)	= 6.14 uM	Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane	ChEMBL.	19278853

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: CHEMBL471249

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 973751