TDR Targets

Basic information

Technical information

TDR Targets ID: 416150
Name: 5-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8 ,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanth en-2-yl]ethenyl]-2-(3-methylbut-2-enyl)benzen e-1,3-diol
MW: 478.62 | Formula: C30H38O5
H donors: 3 H acceptors: 3 LogP: 6.95 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/C=C/c2cc(O)c(c(c2)O)CC=C(C)C)cc2c1O[C@]1(C)CC[C@H](C([C@H]1C2)(C)C)O
InChi: 1S/C30H38O5/c1-18(2)7-10-22-23(31)14-20(15-24(22)32)9-8-19-13-21-17-26-29(3,4)27(33)11-12-30(26,5)35-28(21)25(16-19)34-6/h7-9,13-16,26-27,31-33H,10-12,17H2,1-6H3/b9-8+/t26-,27-,30-/m1/s1
InChiKey: BUFNPAYKUGAAAO-HLULBIOLSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

5-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]vinyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
5-[(E)-2-[(7R,8aR,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]vinyl]-2-(3-methylbut-2-enyl)resorcinol
schweinfurthin F

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 multilocularis	cyclin dependent kinase	0.1173	0.4416	0.4413
Trypanosoma cruzi	aurora B kinase, putative	0.0361	0.1003	0.0965
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.1173	0.4416	0.4416
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0361	0.1003	0.1
Trichomonas vaginalis	cyclins, putative	0.0221	0.0416	0.0633
Trypanosoma cruzi	cdc2-related kinase 1	0.1173	0.4416	0.657
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.1173	0.4416	0.4413
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0381	0.1087	0.1523
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0361	0.1003	0.1537
Schistosoma mansoni	single-minded	0.0201	0.0333	0.033
Echinococcus granulosus	aurora kinase A	0.0361	0.1003	0.1
Loa Loa (eye worm)	hypothetical protein	0.0382	0.1094	0.1094
Entamoeba histolytica	protein kinase domain containing protein	0.1671	0.6504	1
Plasmodium falciparum	protein kinase 5	0.1173	0.4416	0.6787
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0454	0.1393	0.2002
Trypanosoma brucei	aurora B kinase	0.0361	0.1003	0.0965
Echinococcus granulosus	aryl hydrocarbon receptor	0.0435	0.1314	0.131
Trichomonas vaginalis	cyclin B, putative	0.0221	0.0416	0.0633
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0454	0.1393	0.139
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.1671	0.6504	0.6504
Giardia lamblia	Kinase, CMGC GSK	0.1671	0.6504	1
Echinococcus granulosus	cyclin dependent kinase	0.1173	0.4416	0.4413
Loa Loa (eye worm)	AUR protein kinase	0.0361	0.1003	0.1003
Echinococcus multilocularis	protein kinase shaggy	0.1671	0.6504	0.6503
Echinococcus granulosus	cyclin dependent kinase 5	0.1173	0.4416	0.4413
Onchocerca volvulus		0.0433	0.1307	0.1857
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0361	0.1003	0.1537
Schistosoma mansoni	protein kinase	0.0361	0.1003	0.1
Loa Loa (eye worm)	hypothetical protein	0.0381	0.1087	0.1087
Schistosoma mansoni	cyclin B	0.0221	0.0416	0.0412
Trichomonas vaginalis	cyclin A, putative	0.0221	0.0416	0.0633
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.1671	0.6504	0.6503
Giardia lamblia	Kinase, CMGC CDK	0.1173	0.4416	0.6787
Trypanosoma cruzi	cdc2-related kinase 1	0.1173	0.4416	0.657
Echinococcus multilocularis	cyclin dependent kinase 1	0.1173	0.4416	0.4413
Trypanosoma cruzi	cdc2-related kinase 3	0.1173	0.4416	0.657
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.1671	0.6504	0.6504
Giardia lamblia	Aurora kinase	0.0361	0.1003	0.1537
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0454	0.1393	0.139
Entamoeba histolytica	cell division protein kinase 2, putative	0.1173	0.4416	0.6787
Entamoeba histolytica	protein kinase, putative	0.0361	0.1003	0.1537
Mycobacterium ulcerans	putative regulatory protein	0.0149	0.0114	0.5
Echinococcus multilocularis	aurora kinase A	0.0361	0.1003	0.1
Schistosoma mansoni	cyclin B3	0.0454	0.1393	0.139
Loa Loa (eye worm)	AUR protein kinase	0.0361	0.1003	0.1003
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.1671	0.6504	0.6503
Loa Loa (eye worm)	hypothetical protein	0.1198	0.452	0.452
Schistosoma mansoni	serine/threonine protein kinase	0.1173	0.4416	0.4413
Entamoeba histolytica	cyclin, putative	0.0221	0.0416	0.0633
Schistosoma mansoni	serine/threonine protein kinase	0.1173	0.4416	0.4413
Entamoeba histolytica	protein kinase domain containing protein	0.0361	0.1003	0.1537
Trichomonas vaginalis	CMGC family protein kinase	0.1173	0.4416	0.6787
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0416	0.0416
Trypanosoma cruzi	cdc2-related kinase 3	0.1173	0.4416	0.657
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.2503	1	1
Brugia malayi	intracellular kinase	0.1671	0.6504	1
Trypanosoma brucei	protein kinase, putative	0.1671	0.6504	1
Leishmania major	protein kinase, putative	0.0361	0.1003	0.0965
Entamoeba histolytica	cell division protein kinase 2, putative	0.1173	0.4416	0.6787
Brugia malayi	serine/threonine-protein kinase 6	0.0361	0.1003	0.1392
Loa Loa (eye worm)	hypothetical protein	0.1198	0.452	0.452
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.2503	1	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.1173	0.4416	0.4416
Trichomonas vaginalis	AGC family protein kinase	0.0361	0.1003	0.1537
Trichomonas vaginalis	CMGC family protein kinase	0.1173	0.4416	0.6787
Trichomonas vaginalis	cyclins, putative	0.0128	0.0024	0.0031
Brugia malayi	Protein kinase domain containing protein	0.1173	0.4416	0.6732
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0221	0.0416	0.0472
Onchocerca volvulus		0.0221	0.0416	0.0462
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.1173	0.4416	0.6203
Brugia malayi	hypothetical protein	0.1198	0.452	0.6896
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.1671	0.6504	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0221	0.0416	0.0472
Trichomonas vaginalis	CMGC family protein kinase	0.1173	0.4416	0.6787
Echinococcus granulosus	cyclin B	0.0221	0.0416	0.0412
Loa Loa (eye worm)	AUR protein kinase	0.0361	0.1003	0.1003
Echinococcus granulosus	cyclin dependent kinase 1	0.1173	0.4416	0.4413
Brugia malayi	serine/threonine protein kinase 6	0.0361	0.1003	0.1392
Echinococcus granulosus	protein kinase shaggy	0.1671	0.6504	0.6503
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0361	0.1003	0.1
Trichomonas vaginalis	CMGC family protein kinase	0.1671	0.6504	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.1173	0.4416	0.4416
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0361	0.1003	0.1537
Plasmodium vivax	protein kinase Crk2	0.1173	0.4416	0.6203
Entamoeba histolytica	protein kinase, putative	0.0361	0.1003	0.1537
Schistosoma mansoni	serine/threonine protein kinase	0.0361	0.1003	0.1
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0416	0.0416
Brugia malayi	cell division control protein 2 homolog	0.1173	0.4416	0.6732
Entamoeba histolytica	protein kinase domain containing protein	0.1671	0.6504	1
Giardia lamblia	Kinase, CMGC CDK	0.1173	0.4416	0.6787
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0361	0.1003	0.1537
Onchocerca volvulus		0.1671	0.6504	1
Loa Loa (eye worm)	hypothetical protein	0.2503	1	1
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.1173	0.4416	0.657
Trichomonas vaginalis	AGC family protein kinase	0.0361	0.1003	0.1537
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.1671	0.6504	1
Trichomonas vaginalis	cyclin B, putative	0.0221	0.0416	0.0633
Schistosoma mansoni	aryl hydrocarbon receptor	0.0584	0.1939	0.1936
Giardia lamblia	G2/mitotic-specific cyclin B	0.0221	0.0416	0.0633
Trichomonas vaginalis	cyclin B, putative	0.0221	0.0416	0.0633
Trypanosoma brucei	cdc2-related kinase 3	0.1173	0.4416	0.657
Trichomonas vaginalis	cyclins, putative	0.0221	0.0416	0.0633
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.1173	0.4416	0.657
Plasmodium falciparum	glycogen synthase kinase 3	0.1671	0.6504	1
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.1671	0.6504	0.6503
Brugia malayi	PAS domain containing protein	0.0201	0.0333	0.0344
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0435	0.1314	0.131
Entamoeba histolytica	protein kinase , putative	0.0361	0.1003	0.1537
Brugia malayi	serine/threonine kinase 12	0.0361	0.1003	0.1392
Trichomonas vaginalis	cyclin B, putative	0.0221	0.0416	0.0633
Brugia malayi	hypothetical protein	0.0288	0.0697	0.0913
Loa Loa (eye worm)	hypothetical protein	0.0433	0.1307	0.1307
Trichomonas vaginalis	AGC family protein kinase	0.0361	0.1003	0.1537
Echinococcus granulosus	single minded 2	0.0149	0.0114	0.011
Entamoeba histolytica	protein kinase, putative	0.1671	0.6504	1
Echinococcus multilocularis	transfer RNA-Lys	0.0149	0.0114	0.011
Giardia lamblia	Kinase, CMGC GSK	0.1671	0.6504	1
Trichomonas vaginalis	cyclins, putative	0.0221	0.0416	0.0633
Echinococcus multilocularis	cyclin dependent kinase 1	0.1173	0.4416	0.4413
Trypanosoma brucei	cdc2-related kinase 1	0.1173	0.4416	0.657
Loa Loa (eye worm)	cyclin domain-containing protein	0.0454	0.1393	0.1393
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.1671	0.6504	1
Echinococcus multilocularis	cyclin B	0.0221	0.0416	0.0412
Echinococcus multilocularis	cyclin dependent kinase 5	0.1173	0.4416	0.4413
Loa Loa (eye worm)	hypothetical protein	0.1142	0.4286	0.4286
Plasmodium vivax	glycogen synthase kinase 3, putative	0.1671	0.6504	1
Trichomonas vaginalis	CMGC family protein kinase	0.1671	0.6504	1
Trichomonas vaginalis	AGC family protein kinase	0.0361	0.1003	0.1537
Trichomonas vaginalis	cyclins, putative	0.0221	0.0416	0.0633

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 10 nM	Growth inhibition of SNB75 cells	ChEMBL.	17236766
GI50 (functional)	< 10 nM	Growth inhibition of HS578T cells	ChEMBL.	17236766
GI50 (functional)	= 10 nM	Growth inhibition of SNB75 cells	ChEMBL.	17236766
GI50 (functional)	< 10 nM	Growth inhibition of HS578T cells	ChEMBL.	17236766
GI50 (functional)	< 36 nM	Cytotoxicity against human SF295 cells	ChEMBL.	24656801
GI50 (functional)	= 0.41 uM	Growth inhibition of NCI60 cells after 48 hrs	ChEMBL.	17236766
GI50 (functional)	= 13 uM	Growth inhibition of U251 cells	ChEMBL.	17236766
GI50 (functional)	= 13 uM	Growth inhibition of U251 cells	ChEMBL.	17236766
IC50 (functional)	= 0.58 uM	Inhibition of DNA synthesis in human RPMI cells by [3H]-thymidine incorporaion assay	ChEMBL.	17236766
IC50 (functional)	= 5 uM	Antiproliferative activity against drug-sensitive human A2780 cells	ChEMBL.	17326683
IC50 (functional)	= 5 uM	Antiproliferative activity against drug-sensitive human A2780 cells	ChEMBL.	17326683

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17326683

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

PubChem: 16721018

Bibliographic References

2 literature references were 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 416150