TDR Targets

Basic information

Technical information

TDR Targets ID: 220493
Name: 6-dec-9-enyl-3-[4-hydroxy-5-(hydroxymethyl)ox olan-2-yl]furo[2,3-d]pyrimidin-2-one
MW: 390.473 | Formula: C21H30N2O5
H donors: 2 H acceptors: 3 LogP: 3.91 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: C=CCCCCCCCCc1cc2c(o1)nc(=O)n(c2)C1CC(C(O1)CO)O
InChi: 1S/C21H30N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h2,11,13,17-19,24-25H,1,3-10,12,14H2
InChiKey: ALIRUNYFEMSZKR-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

6-dec-9-enyl-3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one
6-dec-9-enyl-3-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-furo[2,3-d]pyrimidinone
6-dec-9-enyl-3-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)furo[2,3-d]pyrimidin-2-one

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
Onchocerca volvulus		0.1325	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.0247	0.0247
Loa Loa (eye worm)	hexokinase	0.0831	0.6075	0.6075
Toxoplasma gondii	hexokinase	0.1325	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0081	0.0107	0.0107
Echinococcus granulosus	hexokinase type 2	0.1325	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Leishmania major	casein kinase II, putative	0.1262	0.9497	0.9007
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Echinococcus granulosus	hexokinase	0.1325	1	1
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.1262	0.9497	0.9497
Loa Loa (eye worm)	hypothetical protein	0.0904	0.6651	0.6651
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Onchocerca volvulus		0.0129	0.0491	0.0388
Loa Loa (eye worm)	animal heme peroxidase	0.0081	0.0107	0.0107
Schistosoma mansoni	protein kinase	0.1262	0.9497	0.9497
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Trypanosoma brucei	hexokinase	0.1325	1	1
Treponema pallidum	hexokinase (hxk)	0.1325	1	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0081	0.0107	0.0107
Plasmodium falciparum	hexokinase	0.1325	1	1
Loa Loa (eye worm)	hexokinase	0.1325	1	1
Plasmodium vivax	hexokinase, putative	0.1325	1	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.0247	0.0247
Trypanosoma brucei	Casein kinase II	0.1262	0.9497	0.9007
Schistosoma mansoni	hypothetical protein	0.0271	0.1618	0.1618
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Brugia malayi	Casein kinase II, alpha chain	0.1262	0.9497	0.9497
Trypanosoma cruzi	hexokinase, putative	0.1325	1	1
Brugia malayi	hexokinase type II	0.0421	0.2815	0.2815
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0687	0.493	0.4328
Brugia malayi	hypothetical protein	0.0081	0.0107	0.0107
Trypanosoma brucei	hexokinase	0.1325	1	1
Loa Loa (eye worm)	hypothetical protein	0.0421	0.2815	0.2815
Trypanosoma cruzi	hexokinase, putative	0.1325	1	1
Loa Loa (eye worm)	casein kinase II	0.0201	0.1062	0.1062
Echinococcus multilocularis	hexokinase type 2	0.1325	1	1
Loa Loa (eye worm)	Csnk2b protein	0.0687	0.493	0.493
Entamoeba histolytica	hexokinase 1	0.1325	1	1
Echinococcus granulosus	casein kinase ii subunit beta	0.0687	0.493	0.4876
Brugia malayi	Animal haem peroxidase family protein	0.0081	0.0107	0.0107
Entamoeba histolytica	casein kinase, putative	0.1262	0.9497	0.9437
Brugia malayi	Peroxidasin	0.0081	0.0107	0.0107
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Schistosoma mansoni	hexokinase	0.1325	1	1
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0687	0.493	0.4876
Brugia malayi	Blistered cuticle protein 3	0.0081	0.0107	0.0107
Leishmania major	hexokinase, putative	0.1325	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.1262	0.9497	0.9437
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Schistosoma mansoni	hypothetical protein	0.0149	0.065	0.065
Giardia lamblia	Kinase, CMGC CK2	0.1262	0.9497	1
Loa Loa (eye worm)	hexokinase	0.1325	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Brugia malayi	Animal haem peroxidase family protein	0.0081	0.0107	0.0107
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.1262	0.9497	0.9007
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0271	0.1618	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0247	0.0247
Brugia malayi	Hexokinase family protein	0.0831	0.6075	0.6075
Plasmodium vivax	unspecified product	0.1262	0.9497	0.9007
Leishmania major	hexokinase, putative	0.1325	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Loa Loa (eye worm)	hexokinase type II	0.1325	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Onchocerca volvulus		0.1325	1	1
Onchocerca volvulus		0.0831	0.6075	0.6032
Loa Loa (eye worm)	hypothetical protein	0.0421	0.2815	0.2815
Schistosoma mansoni	hypothetical protein	0.0149	0.065	0.065
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0687	0.493	0.4328
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Onchocerca volvulus	Hexokinase homolog	0.0831	0.6075	0.6032
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.0247	0.0247
Schistosoma mansoni	peroxidasin	0.0081	0.0107	0.0107
Giardia lamblia	Casein kinase II beta chain	0.0687	0.493	0.4586
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Trypanosoma brucei	hexokinase, putative	0.1325	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Brugia malayi	RNA, U transporter 1	0.0072	0.0039	0.0039
Echinococcus multilocularis	casein kinase ii subunit alpha	0.1262	0.9497	0.9491
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0687	0.493	0.4876
Echinococcus multilocularis	hexokinase	0.1325	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Brugia malayi	Animal haem peroxidase family protein	0.0081	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Toxoplasma gondii	CMGC kinase, CK2 family	0.1262	0.9497	0.9007
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0687	0.493	0.4328
Entamoeba histolytica	hexokinase 2	0.1325	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Onchocerca volvulus		0.1325	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Loa Loa (eye worm)	animal heme peroxidase	0.0081	0.0107	0.0107
Echinococcus multilocularis	casein kinase ii subunit beta	0.0687	0.493	0.4876
Echinococcus multilocularis	geminin	0.0149	0.065	0.0549
Brugia malayi	casein kinase II, putaitve	0.0201	0.1062	0.1062
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Brugia malayi	Hexokinase family protein	0.041	0.2725	0.2725
Echinococcus granulosus	casein kinase ii subunit alpha	0.1262	0.9497	0.9491
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0687	0.493	0.4586
Echinococcus granulosus	snurportin 1	0.0271	0.1618	0.1527
Echinococcus granulosus	hexokinase	0.1325	1	1
Echinococcus multilocularis	hexokinase	0.1325	1	1
Brugia malayi	Csnk2b protein	0.0687	0.493	0.493
Plasmodium falciparum	casein kinase 2, alpha subunit	0.1262	0.9497	0.9007
Brugia malayi	Hexokinase family protein	0.1325	1	1
Echinococcus granulosus	hexokinase	0.1325	1	1
Schistosoma mansoni	casein kinase II beta subunit	0.0687	0.493	0.493
Echinococcus multilocularis	hexokinase	0.1325	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.1262	0.9497	1
Echinococcus granulosus	geminin	0.0149	0.065	0.0549
Schistosoma mansoni	peroxidasin	0.0081	0.0107	0.0107
Echinococcus multilocularis	snurportin 1	0.0271	0.1618	0.1527
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107
Brugia malayi	Animal haem peroxidase family protein	0.0081	0.0107	0.0107
Loa Loa (eye worm)	hexokinase	0.041	0.2725	0.2725
Trypanosoma cruzi	casein kinase II, putative	0.1262	0.9497	0.9007
Loa Loa (eye worm)	animal heme peroxidase	0.0081	0.0107	0.0107
Brugia malayi	Animal haem peroxidase family protein	0.0081	0.0107	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0107	0.0107

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 200 uM	Cytotoxic concentration required to inhibit HEL cell growth by 50 %	ChEMBL.	11212118
clogP	= 3	Calculated partition coefficient (clogP)	ChEMBL.	11212118
EC50 (functional)	= 0.09 uM	Effective concentration required for reduction of plaque formation of Varicella-Zoster Virus (OKA strain)	ChEMBL.	11212118
EC50 (functional)	= 0.1 uM	Effective concentration required for reduction of plaque formation of Varicella-Zoster Virus, (YS strain)	ChEMBL.	11212118
EC50 (functional)	> 200 uM	Effective concentration required for reduction of plaque formation of thymidine kinase deficient Varicella-Zoster Virus (071 strain)	ChEMBL.	11212118
EC50 (functional)	> 200 uM	Effective concentration required for reduction of plaque formation of thymidine kinase deficient Varicella-Zoster Virus (YSR strain)	ChEMBL.	11212118
MCC (functional)	> 50 uM	Minimum cytotoxic concentration required to alter microscopically detectable HEL cell morphology	ChEMBL.	11212118

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: 311396
PubChem: 22209739

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 220493