TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.369 | Formula: C20H20O6
H donors: 0 H acceptors: 1 LogP: 3.64 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)oc(c(c2=O)OC)c1ccc(c(c1OC)C)OC
InChi: 1S/C20H20O6/c1-11-15(23-3)9-8-14(18(11)24-4)19-20(25-5)17(21)13-7-6-12(22-2)10-16(13)26-19/h6-10H,1-5H3
InChiKey: YSPSVESMCMMXIN-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

No synonyms found for this compound

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
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Schistosoma mansoni	serine/threonine protein kinase	0.0085	0.1746	0.1675
Echinococcus multilocularis	cyclin dependent kinase 9	0.0052	0.0394	0.0311
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase	0.006	0.0737	0.0657
Loa Loa (eye worm)	norepinephrine transporter	0.007	0.113	0.1053
Entamoeba histolytica	hypothetical protein	0.0098	0.2268	1
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Echinococcus granulosus	cyclins	0.0067	0.1005	0.0927
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0111	0.2789	1
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0737	0.2409
Echinococcus multilocularis	serotonin receptor	0.0288	1	1
Entamoeba histolytica	hypothetical protein	0.0066	0.098	0.4098
Echinococcus granulosus	dual specificity	0.0098	0.2268	0.2202
Brugia malayi	Protein kinase domain containing protein	0.0137	0.3865	0.4077
Brugia malayi	map kinase activated protein kinase protein 2	0.0193	0.6132	0.6522
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.005	0.0301	0.1079
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0111	0.2789	1
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0394	0.1413
Echinococcus multilocularis	epidermal growth factor receptor	0.0062	0.0818	0.0739
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0062	0.0818	0.0739
Giardia lamblia	Kinase, CMGC CDK	0.005	0.0301	0.0796
Schistosoma mansoni	tyrosine kinase	0.0062	0.0818	0.0739
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0093	0.2065	0.2135
Echinococcus multilocularis	cyclin b3	0.0067	0.1005	0.0927
Entamoeba histolytica	cyclin family protein	0.0067	0.1005	0.4213
Brugia malayi	cell division control protein 2 homolog	0.005	0.0301	0.0232
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0095	0.2168	0.21
Trichomonas vaginalis	CMGC family protein kinase	0.0111	0.2789	1
Schistosoma mansoni	tyrosine kinase	0.0137	0.3865	0.3812
Trichomonas vaginalis	cyclins, putative	0.0051	0.0341	0.0944
Echinococcus granulosus	cyclin dependent kinase 9	0.0052	0.0394	0.0311
Trypanosoma cruzi	cyclin, putative	0.0093	0.2065	0.7321
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Trichomonas vaginalis	cyclin B, putative	0.0093	0.2065	0.7321
Trichomonas vaginalis	cyclin B, putative	0.0093	0.2065	0.7321
Brugia malayi	Protein kinase domain containing protein	0.0076	0.1368	0.1383
Brugia malayi	Furin-like cysteine rich region family protein	0.0062	0.0818	0.079
Entamoeba histolytica	cell division protein kinase 2, putative	0.005	0.0301	0.0986
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0111	0.2789	0.8895
Echinococcus granulosus	cyclins	0.0067	0.1005	0.0927
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.005	0.0301	0.0796
Trypanosoma cruzi	cyclin, putative	0.0093	0.2065	0.7321
Echinococcus granulosus	cyclins	0.0067	0.1005	0.0927
Giardia lamblia	Kinase, CMGC MAPK	0.0111	0.2789	1
Echinococcus multilocularis	cyclin dependent kinase	0.005	0.0301	0.0217
Trypanosoma cruzi	cyclin 6, putative	0.0093	0.2065	0.7321
Trichomonas vaginalis	CMGC family protein kinase	0.0111	0.2789	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0288	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Giardia lamblia	Hypothetical protein	0.0067	0.1005	0.3401
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0301	0.0796
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0111	0.2789	1
Trichomonas vaginalis	cyclin A, putative	0.0093	0.2065	0.7321
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0394	0.0311
Plasmodium vivax	protein kinase Crk2	0.005	0.0301	1
Schistosoma mansoni	cyclin B3	0.0067	0.1005	0.0927
Echinococcus multilocularis	serotonin receptor	0.0288	1	1
Onchocerca volvulus		0.0093	0.2065	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0301	0.0796
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0193	0.6132	0.6099
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0067	0.1005	0.0927
Echinococcus multilocularis	cyclin dependent kinase 1	0.005	0.0301	0.0217
Schistosoma mansoni	kinase	0.0052	0.0394	0.0311
Entamoeba histolytica	protein kinase, putative	0.0098	0.2268	1
Schistosoma mansoni	tyrosine kinase	0.0062	0.0818	0.0739
Entamoeba histolytica	cyclin, putative	0.0093	0.2065	0.9067
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0111	0.2789	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0111	0.2789	1
Echinococcus granulosus	cyclin dependent kinase	0.005	0.0301	0.0217
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0093	0.2065	0.1996
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0111	0.2789	0.2727
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0093	0.2065	0.7321
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0098	0.2268	0.7182
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1323	0.1248
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.007	0.113	0.1053
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0301	0.0217
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0162	0.4872	0.5164
Loa Loa (eye worm)	CMGC/CDK/CDK7 protein kinase	0.0085	0.1746	0.1675
Trichomonas vaginalis	cyclin B, putative	0.0093	0.2065	0.7321
Trichomonas vaginalis	cyclins, putative	0.0093	0.2065	0.7321
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0534	0.0452
Schistosoma mansoni	g1/s-specific cyclin C	0.0095	0.2168	0.21
Loa Loa (eye worm)	cyclin C	0.0095	0.2168	0.21
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.005	0.0301	0.0217
Echinococcus granulosus	cyclin dependent kinase 1	0.005	0.0301	0.0217
Loa Loa (eye worm)	cyclin domain-containing protein	0.0162	0.4872	0.4828
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0111	0.2789	1
Entamoeba histolytica	protein kinase domain containing protein	0.0098	0.2268	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0301	0.0796
Trypanosoma brucei	cdc2-related kinase 3	0.005	0.0301	0.0708
Giardia lamblia	G2/mitotic-specific cyclin B	0.0093	0.2065	0.7321
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.0052	0.0394	0.0311
Schistosoma mansoni	cyclin B	0.0093	0.2065	0.1996
Loa Loa (eye worm)	CAMKK/META protein kinase	0.006	0.0737	0.0657
Echinococcus granulosus	insulin receptor	0.0137	0.3865	0.3812
Trichomonas vaginalis	cyclin B, putative	0.0093	0.2065	0.7321
Echinococcus granulosus	cyclin dependent kinase 9	0.006	0.073	0.065
Trichomonas vaginalis	cyclin H, putative	0.0066	0.098	0.3309
Loa Loa (eye worm)	hypothetical protein	0.007	0.113	0.1053
Trichomonas vaginalis	cyclins, putative	0.0093	0.2065	0.7321
Toxoplasma gondii	casein kinase I	0.0044	0.0086	0.0307
Trichomonas vaginalis	CMGC family protein kinase	0.0111	0.2789	1
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Loa Loa (eye worm)	hypothetical protein	0.0093	0.2065	0.1997
Loa Loa (eye worm)	hypothetical protein	0.007	0.113	0.1053
Echinococcus multilocularis	cyclin dependent kinase 7	0.0085	0.1746	0.1675
Plasmodium falciparum	protein kinase 5	0.005	0.0301	0.2341
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0098	0.2268	0.8074
Trichomonas vaginalis	CMGC family protein kinase	0.0111	0.2789	1
Schistosoma mansoni	tyrosine kinase	0.0061	0.0773	0.0693
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0737	0.2409
Loa Loa (eye worm)	cyclin domain-containing protein	0.0272	0.9356	0.935
Entamoeba histolytica	cyclin, putative	0.0067	0.1005	0.4213
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Loa Loa (eye worm)	solute carrier family 6 member 4	0.007	0.113	0.1053
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0737	0.2409
Echinococcus granulosus	cyclin B3 1	0.0067	0.1005	0.0927
Schistosoma mansoni	tyrosine kinase	0.0061	0.0773	0.0693
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Leishmania major	cyclin	0.0093	0.2065	0.7321
Loa Loa (eye worm)	hypothetical protein	0.007	0.113	0.1053
Echinococcus granulosus	cyclin B	0.0093	0.2065	0.1996
Onchocerca volvulus		0.007	0.113	0.5277
Trypanosoma brucei	mitotic cyclin 6	0.0093	0.2065	0.6512
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0067	0.1005	0.0992
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0193	0.6132	0.6099
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0737	0.2409
Loa Loa (eye worm)	cyclin domain-containing protein	0.0067	0.1005	0.0927
Entamoeba histolytica	protein kinase, putative	0.0098	0.2268	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0067	0.1005	0.0927
Trypanosoma brucei	protein kinase, putative	0.0119	0.3125	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0137	0.3865	0.3812
Echinococcus multilocularis	cyclin dependent kinase 1	0.005	0.0301	0.0217
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0301	0.0217
Schistosoma mansoni	tyrosine kinase	0.0061	0.0773	0.0693
Echinococcus multilocularis	cyclin B	0.0093	0.2065	0.1996
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Schistosoma mansoni	serine/threonine protein kinase	0.0193	0.6132	0.6099
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0111	0.2789	1
Brugia malayi	Protein kinase domain containing protein	0.005	0.0301	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0534	0.0452
Schistosoma mansoni	sodium/chloride dependent transporter	0.007	0.113	0.1053
Echinococcus multilocularis	cyclin	0.0095	0.2168	0.21
Trichomonas vaginalis	CAMK family protein kinase	0.006	0.0737	0.2409
Trichomonas vaginalis	cyclin B, putative	0.0067	0.1005	0.3401
Echinococcus granulosus	epidermal growth factor receptor	0.0062	0.0818	0.0739
Schistosoma mansoni	serine/threonine protein kinase	0.0085	0.1746	0.1675
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0137	0.3865	0.3812
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0272	0.9356	1
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0737	0.2409
Brugia malayi	Protein kinase domain containing protein	0.006	0.0737	0.0703
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0193	0.6132	0.6099
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0301	0.0217
Echinococcus granulosus	serotonin transporter	0.007	0.113	0.1053
Echinococcus multilocularis	mitogen activated protein kinase	0.0111	0.2789	0.2727
Loa Loa (eye worm)	hypothetical protein	0.0093	0.2065	0.1997
Brugia malayi	Cyclin C	0.0095	0.2168	0.2246
Echinococcus granulosus	epidermal growth factor receptor	0.0062	0.0818	0.0739
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.007	0.113	0.1127
Plasmodium falciparum	cyclin	0.0067	0.1005	1
Schistosoma mansoni	serine/threonine protein kinase	0.0111	0.2789	0.2727
Echinococcus granulosus	mitogen activated protein kinase	0.0111	0.2789	0.2727
Echinococcus granulosus	mitogen activated protein kinase 3	0.0111	0.2789	0.2727
Schistosoma mansoni	cyclins	0.0067	0.1005	0.0927
Trypanosoma cruzi	cdc2-related kinase 1	0.005	0.0301	0.0796
Loa Loa (eye worm)	TK/INSR protein kinase	0.0137	0.3865	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0093	0.2065	0.1996
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0098	0.2268	0.8074
Trichomonas vaginalis	cyclins, putative	0.0093	0.2065	0.7321
Echinococcus multilocularis	cyclin dependent kinase 5	0.005	0.0301	0.0217
Echinococcus multilocularis	insulin receptor	0.0137	0.3865	0.3812
Trichomonas vaginalis	cyclins, putative	0.0093	0.2065	0.7321
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0098	0.2268	0.2202
Giardia lamblia	Kinase, CMGC CDK	0.005	0.0301	0.0796
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.005	0.0301	0.0217
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0093	0.2082	0.2154
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.005	0.0301	0.0796
Entamoeba histolytica	cell division protein kinase 2, putative	0.0058	0.0637	0.2525
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0111	0.2789	0.2727
Brugia malayi	Protein kinase domain containing protein	0.0098	0.2268	0.2355
Echinococcus granulosus	cyclin b3	0.0067	0.1005	0.0927
Trypanosoma cruzi	cdc2-related kinase 3	0.005	0.0301	0.0796
Echinococcus granulosus	cyclin dependent kinase 5	0.005	0.0301	0.0217
Trypanosoma cruzi	cdc2-related kinase 1	0.005	0.0301	0.0796
Echinococcus multilocularis	cyclin B3 1	0.0067	0.1005	0.0927
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0098	0.2268	0.8074
Treponema pallidum	sodium- and chloride- dependent transporter	0.007	0.113	0.5
Giardia lamblia	Cyclin A	0.0067	0.1005	0.3401
Trichomonas vaginalis	cyclin D, putative	0.0067	0.1005	0.3401
Trichomonas vaginalis	cyclin B3, putative	0.0067	0.1005	0.3401
Echinococcus granulosus	cyclins	0.0067	0.1005	0.0927
Schistosoma mansoni	tyrosine kinase	0.0062	0.0818	0.0739
Echinococcus multilocularis	cyclins	0.0067	0.1005	0.0927
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0095	0.2168	0.21
Trichomonas vaginalis	cyclin D, putative	0.0067	0.1005	0.3401
Echinococcus multilocularis	epidermal growth factor receptor	0.0062	0.0818	0.0739
Trichomonas vaginalis	cyclins, putative	0.0067	0.1005	0.3401
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0301	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0098	0.0012
Echinococcus multilocularis	serotonin transporter	0.007	0.113	0.1053
Echinococcus granulosus	cyclins	0.0067	0.1005	0.0927
Echinococcus granulosus	cyclin	0.0095	0.2168	0.21
Loa Loa (eye worm)	serotonin transporter b	0.007	0.113	0.1053
Brugia malayi	cyclin-dependent kinase 9	0.0052	0.0394	0.0333
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0093	0.2065	0.2135
Loa Loa (eye worm)	hypothetical protein	0.0288	1	1
Echinococcus granulosus	cyclin dependent kinase 7	0.0085	0.1746	0.1675
Brugia malayi	MAP kinase sur-1	0.0111	0.2789	0.2916
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.1005	0.3401
Loa Loa (eye worm)	hypothetical protein	0.0285	0.9896	0.9895
Schistosoma mansoni	serine/threonine protein kinase	0.0098	0.2268	0.2202
Trypanosoma brucei	cdc2-related kinase 1	0.005	0.0301	0.0708
Trypanosoma cruzi	cdc2-related kinase 3	0.005	0.0301	0.0796
Echinococcus multilocularis	cyclin dependent kinase 9	0.006	0.073	0.065
Schistosoma mansoni	tyrosine kinase	0.0137	0.3865	0.3812
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0534	0.0452
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0093	0.2065	0.7321
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0062	0.0818	0.0739
Entamoeba histolytica	cyclin family protein	0.0067	0.1005	0.4213
Loa Loa (eye worm)	hypothetical protein	0.0288	1	1
Echinococcus multilocularis	dual specificity	0.0098	0.2268	0.2202

Activities

No activities found for this compound.

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: CHEMBL3317523

Bibliographic References

No literature references available for this target.

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Detailed information for compound 921800