Detailed information for compound 39501

Basic information

Technical information
  • TDR Targets ID: 39501
  • Name: 5-ethynyl-1-[4-hydroxy-5-(hydroxymethyl)oxola n-2-yl]pyrimidine-2,4-dione
  • MW: 252.223 | Formula: C11H12N2O5
  • H donors: 3 H acceptors: 4 LogP: -1.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(CC1O)n1cc(C#C)c(=O)[nH]c1=O
  • InChi: 1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)
  • InChiKey: CDEURGJCGCHYFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-ethynyl-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-ethynyl-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-ethynyl-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidine-2,4-quinone
  • 5-ethynyl-2'-deoxyuridine
  • 2'-Deoxy-5-ethynyluridine
  • BRN 0756841
  • Uridine, 2'-deoxy-5-ethynyl-

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) norepinephrine transporter 0.0151 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0151 0.045 0.045
Leishmania major beta tubulin 0.006 0.0115 0.0105
Echinococcus granulosus peroxisome assembly protein 26 0.0072 0.0159 0.0104
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.0159 1
Trichomonas vaginalis tubulin, putative 0.006 0.0115 0.5736
Trypanosoma brucei beta tubulin 0.006 0.0115 0.0105
Trypanosoma brucei alpha tubulin 0.0072 0.0159 0.0183
Schistosoma mansoni sodium/chloride dependent transporter 0.0151 0.045 0.0397
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Echinococcus granulosus Tubulin alpha 1 chain 0.0072 0.0159 0.0104
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0151 0.045 0.0397
Echinococcus granulosus tubulin beta 4A class IVa 0.006 0.0115 0.006
Leishmania major beta tubulin 0.006 0.0115 0.0105
Echinococcus granulosus tubulin alpha 1C chain 0.0072 0.0159 0.0104
Echinococcus multilocularis tubulin alpha chain 0.0072 0.0159 0.0104
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0053 0.009 0.009
Schistosoma mansoni alpha tubulin 0.0072 0.0159 0.0104
Echinococcus granulosus Tubulin alpha 1 chain 0.0072 0.0159 0.0104
Plasmodium vivax tubulin alpha chain, putative 0.0072 0.0159 1
Brugia malayi Tubulin alpha-2 chain 0.0072 0.0159 0.0104
Trypanosoma brucei beta tubulin 0.006 0.0115 0.0105
Loa Loa (eye worm) hypothetical protein 0.1587 0.5712 0.5712
Echinococcus granulosus tubulin alpha 3 chain 0.0072 0.0159 0.0104
Echinococcus multilocularis tubulin alpha chain 0.0072 0.0159 0.0104
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Echinococcus multilocularis Tubulin alpha 1 chain 0.0072 0.0159 0.0104
Loa Loa (eye worm) hypothetical protein 0.0811 0.2869 0.2869
Echinococcus multilocularis peroxisome assembly protein 26 0.0072 0.0159 0.0104
Schistosoma mansoni tubulin subunit beta 0.006 0.0115 0.006
Entamoeba histolytica tubulin family protein 0.006 0.0115 0.5736
Echinococcus multilocularis tubulin alpha chain 0.0072 0.0159 0.0104
Toxoplasma gondii beta tubulin 0.006 0.0115 0.5736
Schistosoma mansoni tubulin subunit beta 0.006 0.0115 0.006
Echinococcus multilocularis beta tubulin 0.006 0.0115 0.006
Echinococcus multilocularis tubulin alpha 1C chain 0.0072 0.0159 0.0104
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0047 0.0069 0.1339
Echinococcus granulosus Tubulin beta 2C chain 0.006 0.0115 0.006
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Entamoeba histolytica tubulin alpha chain, putative 0.0072 0.0159 1
Echinococcus granulosus Tubulin beta 2C chain 0.006 0.0115 0.006
Trypanosoma brucei C-8 sterol isomerase, putative 0.1587 0.5712 1
Schistosoma mansoni alpha tubulin 0.0072 0.0159 0.0104
Echinococcus multilocularis hypothetical protein 0.0072 0.0159 0.0104
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1587 0.5712 0.5688
Echinococcus multilocularis tubulin alpha 3 chain 0.0072 0.0159 0.0104
Schistosoma mansoni tubulin subunit beta 0.006 0.0115 0.006
Leishmania major beta tubulin 0.006 0.0115 0.0105
Giardia lamblia Alpha-tubulin 0.0072 0.0159 1
Trypanosoma brucei alpha tubulin 0.0072 0.0159 0.0183
Echinococcus multilocularis Tubulin beta 2C chain 0.006 0.0115 0.006
Loa Loa (eye worm) BEN-1 protein 0.006 0.0115 0.0115
Echinococcus granulosus tubulin alpha 3 chain 0.0072 0.0159 0.0104
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.0159 1
Leishmania major beta tubulin 0.006 0.0115 0.0105
Trichomonas vaginalis tubulin alpha chain, putative 0.006 0.0115 0.5736
Schistosoma mansoni vesicular acetylcholine transporter 0.2757 1 1
Echinococcus granulosus tubulin alpha chain 0.0072 0.0159 0.0104
Trichomonas vaginalis tubulin epsilon chain, putative 0.006 0.0115 0.5736
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Echinococcus granulosus beta tubulin 0.006 0.0115 0.006
Echinococcus granulosus tubulin beta 1 chain 0.006 0.0115 0.006
Echinococcus multilocularis vesicular acetylcholine transporter 0.2757 1 1
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0053 0.009 0.3354
Loa Loa (eye worm) tubulin alpha chain 0.0072 0.0159 0.0159
Loa Loa (eye worm) tubulin gamma chain 0.0043 0.0055 0.0055
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Plasmodium falciparum alpha tubulin 2 0.0072 0.0159 1
Plasmodium falciparum alpha tubulin 1 0.0072 0.0159 1
Echinococcus granulosus Tubulin beta 2C chain 0.006 0.0115 0.006
Echinococcus multilocularis Tubulin beta 2C chain 0.006 0.0115 0.006
Trichomonas vaginalis tubulin epsilon chain, putative 0.006 0.0115 0.5736
Echinococcus granulosus Tubulin alpha 1 chain 0.0072 0.0159 0.0104
Leishmania major beta tubulin 0.006 0.0115 0.0105
Echinococcus granulosus Tubulin beta 2C chain 0.006 0.0115 0.006
Schistosoma mansoni tubulin subunit alpha 0.0072 0.0159 0.0104
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0151 0.045 0.0397
Echinococcus granulosus alpha tubulin 0.0072 0.0159 0.0104
Loa Loa (eye worm) serotonin transporter b 0.0151 0.045 0.045
Schistosoma mansoni tubulin subunit beta 0.006 0.0115 0.006
Giardia lamblia Alpha-tubulin 0.0072 0.0159 1
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Loa Loa (eye worm) tubulin alpha-3 chain 0.0047 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0151 0.045 0.045
Echinococcus multilocularis Tubulin beta 2C chain 0.006 0.0115 0.006
Leishmania major beta tubulin 0.006 0.0115 0.0105
Leishmania major beta tubulin 0.006 0.0115 0.0105
Leishmania major beta tubulin 0.006 0.0115 0.0105
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Trichomonas vaginalis tubulin epsilon chain, putative 0.0072 0.0159 1
Leishmania major beta tubulin 0.006 0.0115 0.0105
Leishmania major beta tubulin 0.006 0.0115 0.0105
Loa Loa (eye worm) tubulin beta-4 chain 0.006 0.0115 0.0115
Loa Loa (eye worm) BEN-1 protein 0.006 0.0115 0.0115
Loa Loa (eye worm) tubulin alpha 2 0.0053 0.009 0.009
Trypanosoma brucei alpha tubulin 0.0072 0.0159 0.0183
Plasmodium vivax tubulin beta chain, putative 0.006 0.0115 0.5736
Echinococcus multilocularis tubulin alpha chain 0.0072 0.0159 0.0104
Loa Loa (eye worm) tubulin beta-1 chain 0.006 0.0115 0.0115
Schistosoma mansoni tubulin subunit beta 0.006 0.0115 0.006
Loa Loa (eye worm) hypothetical protein 0.0151 0.045 0.045
Echinococcus multilocularis Tubulin beta 2C chain 0.006 0.0115 0.006
Trypanosoma brucei alpha tubulin 0.0072 0.0159 0.0183
Loa Loa (eye worm) alpha-tubulin 0.0072 0.0159 0.0159
Leishmania major beta tubulin 0.006 0.0115 0.0105
Loa Loa (eye worm) beta-tubulin 0.006 0.0115 0.0115
Leishmania major beta tubulin 0.006 0.0115 0.0105
Schistosoma mansoni tubulin subunit beta 0.006 0.0115 0.006
Leishmania major beta tubulin 0.006 0.0115 0.0105
Brugia malayi beta-tubulin, identical 0.006 0.0115 0.006
Loa Loa (eye worm) tubulin alpha-2 chain 0.0072 0.0159 0.0159
Trichomonas vaginalis tubulin gamma chain, putative 0.006 0.0115 0.5736
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Echinococcus multilocularis tubulin alpha 1C chain 0.0072 0.0159 0.0104
Trypanosoma brucei beta tubulin 0.006 0.0115 0.0105
Trichomonas vaginalis tubulin beta chain, putative 0.006 0.0115 0.5736
Brugia malayi tubulin alpha chain - mouse 0.0072 0.0159 0.0104
Brugia malayi Tubulin alpha-2 chain 0.0072 0.0159 0.0104
Loa Loa (eye worm) tubulin beta-2A chain 0.006 0.0115 0.0115
Loa Loa (eye worm) tubulin alpha chain 0.0072 0.0159 0.0159
Plasmodium vivax tubulin alpha chain, putative 0.0072 0.0159 1
Giardia lamblia Beta tubulin 0.006 0.0115 0.5736
Echinococcus multilocularis tubulin subunit TubB 0.0072 0.0159 0.0104
Echinococcus granulosus tubulin alpha 1C chain 0.0072 0.0159 0.0104
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.0159 1
Loa Loa (eye worm) tubulin beta chain 0.006 0.0115 0.0115
Toxoplasma gondii beta-1 tubulin, putative 0.006 0.0115 0.5736
Entamoeba histolytica tubulin alpha-1 chain 0.0072 0.0159 1
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1587 0.5712 1
Toxoplasma gondii beta-tubulin, putative 0.006 0.0115 0.5736
Leishmania major beta tubulin 0.006 0.0115 0.0105
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.0159 1
Entamoeba histolytica tubulin family protein 0.006 0.0115 0.5736
Echinococcus multilocularis tubulin subunit beta 0.006 0.0115 0.006
Echinococcus granulosus tubulin alpha chain 0.0072 0.0159 0.0104
Echinococcus multilocularis tubulin alpha chain 0.0072 0.0159 0.0104
Echinococcus granulosus Tubulin beta 2C chain 0.006 0.0115 0.006
Echinococcus multilocularis tubulin alpha 3 chain 0.0072 0.0159 0.0104
Giardia lamblia Beta tubulin 0.006 0.0115 0.5736
Brugia malayi alpha-tubulin 0.0072 0.0159 0.0104
Loa Loa (eye worm) solute carrier family 6 member 4 0.0151 0.045 0.045
Echinococcus multilocularis beta tubulin 0.006 0.0115 0.006
Echinococcus multilocularis Tubulin beta 2C chain 0.006 0.0115 0.006
Leishmania major C-8 sterol isomerase-like protein 0.1587 0.5712 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.006 0.0115 0.006
Loa Loa (eye worm) alpha-tubulin 0.0072 0.0159 0.0159
Giardia lamblia Beta tubulin 0.006 0.0115 0.5736
Plasmodium falciparum tubulin beta chain 0.006 0.0115 0.5736
Echinococcus granulosus vesicular acetylcholine transporter 0.2757 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0072 0.0159 1
Echinococcus granulosus tubulin subunit beta 0.006 0.0115 0.006
Trichomonas vaginalis tubulin epsilon chain, putative 0.0072 0.0159 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0069 0.0069
Echinococcus granulosus serotonin transporter 0.0151 0.045 0.0397
Brugia malayi Tubulin alpha chain 0.0072 0.0159 0.0104
Trypanosoma cruzi alpha tubulin, putative 0.0072 0.0159 0.0183
Trypanosoma cruzi beta tubulin, putative 0.006 0.0115 0.0105
Echinococcus granulosus beta tubulin 0.006 0.0115 0.006
Brugia malayi tubulin alpha-2 chain 0.0072 0.0159 0.0104
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Loa Loa (eye worm) hypothetical protein 0.0072 0.0159 0.0159
Echinococcus multilocularis tubulin beta 1 chain 0.006 0.0115 0.006
Schistosoma mansoni alpha tubulin 0.0072 0.0159 0.0104
Schistosoma mansoni tubulin subunit alpha 0.0072 0.0159 0.0104
Leishmania major beta tubulin 0.006 0.0115 0.0105
Echinococcus granulosus tubulin alpha chain 0.0072 0.0159 0.0104
Loa Loa (eye worm) tubulin alpha 2 0.0053 0.009 0.009
Leishmania major beta tubulin 0.006 0.0115 0.0105
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.0159 1
Toxoplasma gondii alpha-tubulin I, putative 0.0072 0.0159 1
Trypanosoma brucei beta tubulin 0.006 0.0115 0.0105
Echinococcus multilocularis Tubulin alpha 1 chain 0.0072 0.0159 0.0104
Echinococcus granulosus tubulin alpha chain 0.0072 0.0159 0.0104
Brugia malayi Tubulin beta-1 chain 0.006 0.0115 0.006
Echinococcus multilocularis serotonin transporter 0.0151 0.045 0.0397
Echinococcus granulosus tubulin subunit TubB 0.0072 0.0159 0.0104
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0072 0.0159 1
Leishmania major beta tubulin 0.006 0.0115 0.0105
Leishmania major beta tubulin 0.006 0.0115 0.0105
Treponema pallidum sodium- and chloride- dependent transporter 0.0151 0.045 0.5
Schistosoma mansoni tubulin subunit alpha 0.0072 0.0159 0.0104
Echinococcus multilocularis Tubulin alpha 1 chain 0.0072 0.0159 0.0104
Echinococcus granulosus tubulin alpha chain 0.0072 0.0159 0.0104
Leishmania major alpha tubulin 0.0072 0.0159 0.0183
Trichomonas vaginalis tubulin beta chain, putative 0.0072 0.0159 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2757 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2757 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.009 0.009

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.12 uM Effective concentration of the compound to inhibit the growth of Wild-type S49 cells ChEMBL. 6796687
Effect (functional) 0 Effect of the compound on mutant line lacking dThd kinase (S49/TK at 0.1 mM; No effect ChEMBL. 6796687
ID50 (functional) = 0.05 ug ml-1 Inhibitory activity of the compound against incorpotaion of deoxy[1',2'-3H]uridine (dUrd) into the DNA of uninfected primary rabbit kidney (PRK) cell cultures ChEMBL. 6302254
ID50 (functional) = 0.09 ug ml-1 Concentration required to reduce leukemia L1210 cell growth in mice ChEMBL. 6302254
ID50 (functional) = 0.1 ug ml-1 Concentration required to reduce Vaccinia virus induced cytopathogenicity in primary rabbit kidney (PRK) cell cultures ChEMBL. 6302254
ID50 (functional) = 0.16 ug ml-1 Inhibitory activity of the compound against incorpotaion of deoxy-[methyl.3H-]-thymidine (dThd) into the DNA of murine leukemia L1210 cell cultures ChEMBL. 6302254
ID50 (functional) = 0.5 ug ml-1 Concentration required to reduce Herpes simplex virus type 1 induced cytopathogenicity in primary rabbit kidney (PRK) cell cultures ChEMBL. 6302254
ID50 (functional) = 1 ug ml-1 Concentration required to reduce Herpes simplex virus type 2 induced cytopathogenicity in primary rabbit kidney (PRK) cell cultures ChEMBL. 6302254
ID50 (functional) = 3 ug ml-1 Inhibitory activity of the compound against incorpotaion of deoxy-[methyl.3H-]-thymidine (dThd) into the DNA of uninfected primary rabbit kidney (PRK) cell cultures ChEMBL. 6302254
ID50 (functional) = 28 ug ml-1 Inhibitory activity of the compound against incorpotaion of deoxy-[methyl.3H-]-thymidine (dThd) into the DNA of murine leukemia L1210 cell cultures ChEMBL. 6302254
ID50 (functional) = 11 uM Concentration required to reduce the number of viral plaques in vivo cell monolayers of herpes simplex virus type 1. ChEMBL. 2521518
ID50 (functional) = 11 uM Concentration required to reduce the number of viral plaques in vivo cell monolayers of herpes simplex virus type 2. ChEMBL. 2521518

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

Bibliographic References

3 literature references were collected for this gene.

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