TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 376.419 | Formula: C21H25FO5
H donors: 0 H acceptors: 1 LogP: 4.3 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@@H]1Cc1cccc(c1)F)CC[C@H]4C)OO3
InChi: 1S/C21H25FO5/c1-12-6-7-17-15(11-13-4-3-5-14(22)10-13)18(23)24-19-21(17)16(12)8-9-20(2,25-19)26-27-21/h3-5,10,12,15-17,19H,6-9,11H2,1-2H3/t12-,15+,16+,17+,19-,20+,21-/m1/s1
InChiKey: YFURXOUDPJHVOO-UOVNHBKUSA-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
Brugia malayi	hypothetical protein	0.0221	0.014	0.014
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0835	0.2184	1
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0221	0.014	0.0643
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0221	0.014	0.0643
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0221	0.014	0.0643
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Echinococcus multilocularis	hypothetical protein	0.0221	0.014	0.0643
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Schistosoma mansoni	serine/threonine protein kinase	0.0835	0.2184	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Schistosoma mansoni	titin	0.0186	0.0025	0.0115
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0221	0.014	0.0643
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0835	0.2184	0.5
Schistosoma mansoni	hypothetical protein	0.0426	0.0823	0.3769
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0835	0.2184	1
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0221	0.014	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0399	0.0735	0.3366
Loa Loa (eye worm)	hypothetical protein	0.2783	0.867	0.9219
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0399	0.0735	0.3366
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0221	0.014	0.0643
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Schistosoma mansoni	protein tyrosine phosphatase	0.0399	0.0735	0.3366
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0221	0.014	0.0643
Trichomonas vaginalis	CMGC family protein kinase	0.0835	0.2184	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0399	0.0735	0.3366
Loa Loa (eye worm)	hypothetical protein	0.2783	0.867	0.9219
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0399	0.0735	0.3366
Onchocerca volvulus		0.2962	0.9265	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0835	0.2184	1
Onchocerca volvulus		0.0221	0.014	0.0151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0186	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.2783	0.867	0.9219
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0221	0.014	0.5
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0186	0.0025	0.0027
Brugia malayi	Protein-tyrosine phosphatase 1	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0221	0.014	0.0643
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0221	0.014	0.0643
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0835	0.2184	0.2322
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0835	0.2184	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0221	0.014	0.5
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0221	0.014	0.014
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0221	0.014	0.014
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0221	0.014	0.0643
Schistosoma mansoni	protein tyrosine phosphatase	0.0221	0.014	0.0643
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0399	0.0735	0.3366
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0399	0.0735	0.3366
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0399	0.0735	0.0781
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0221	0.014	0.0643
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0835	0.2184	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0835	0.2184	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.3004	0.9405	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0221	0.014	0.0149
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0399	0.0735	0.3366
Trichomonas vaginalis	CMGC family protein kinase	0.0835	0.2184	1
Brugia malayi	hypothetical protein	0.0221	0.014	0.014
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0399	0.0735	0.3366
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0835	0.2184	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0221	0.014	0.0643
Trichomonas vaginalis	CMGC family protein kinase	0.0835	0.2184	1
Brugia malayi	hypothetical protein	0.0221	0.014	0.014
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0221	0.014	0.0149
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus granulosus	titin	0.0186	0.0025	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus multilocularis	titin	0.0186	0.0025	0.0115
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0221	0.014	0.0643
Trypanosoma brucei	protein kinase, putative	0.0835	0.2184	1
Giardia lamblia	Kinase, CMGC MAPK	0.0835	0.2184	1
Echinococcus granulosus	titin	0.0186	0.0025	0.0115
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Leishmania major	tyrosine specific protein phosphatase, putative	0.0221	0.014	0.0643
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0399	0.0735	0.3366
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Onchocerca volvulus		0.0186	0.0025	0.0027
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0399	0.0735	0.3366
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0221	0.014	0.0643
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0221	0.014	0.0643
Onchocerca volvulus		0.0221	0.014	0.0151
Onchocerca volvulus		0.0221	0.014	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Brugia malayi	hypothetical protein	0.0221	0.014	0.014
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0399	0.0735	0.3366
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0221	0.014	0.0149
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Brugia malayi	hypothetical protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Schistosoma mansoni	pcd6 interacting protein-related	0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase	0.0221	0.014	0.014
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0221	0.014	0.0643
Trichomonas vaginalis	CMGC family protein kinase	0.0835	0.2184	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0221	0.014	0.0643
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0399	0.0735	0.3366
Schistosoma mansoni	serine/threonine protein kinase	0.0186	0.0025	0.0115
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Onchocerca volvulus		0.0221	0.014	0.0151
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0399	0.0735	0.3366
Brugia malayi	protein unc-22	0.0186	0.0025	0.0025
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0835	0.2184	1
Brugia malayi	MAP kinase sur-1	0.0835	0.2184	0.2184
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Echinococcus multilocularis		0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Echinococcus multilocularis	mitogen activated protein kinase	0.0835	0.2184	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Loa Loa (eye worm)	CAMK protein kinase	0.0186	0.0025	0.0027
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0221	0.014	0.0643
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0186	0.0025	0.0027
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0221	0.014	0.0643
Onchocerca volvulus		0.0221	0.014	0.0151
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Echinococcus granulosus	mitogen activated protein kinase	0.0835	0.2184	1
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0221	0.014	0.0643
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus	4.1 G protein, putative homolog	0.0221	0.014	0.0151
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0399	0.0735	0.3366
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Onchocerca volvulus		0.0221	0.014	0.0151
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0221	0.014	0.0643
Trypanosoma brucei	RNA helicase, putative	0.0426	0.0823	0.3769
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Onchocerca volvulus		0.0221	0.014	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Schistosoma mansoni	protein tyrosine phosphatase	0.0221	0.014	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0221	0.014	0.0149
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0835	0.2184	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0221	0.014	0.014
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0221	0.014	0.0643
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0399	0.0735	0.3366

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 18.2 nM	Antimalarial activity against Plasmodium falciparum.	ChEMBL.	11741486

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	11741486

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: CHEMBL3037995

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 1808970