Detailed information for compound 430625

Basic information

Technical information
  • TDR Targets ID: 430625
  • Name: ethyl (E)-3-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5 -(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimid in-5-yl]prop-2-enoate
  • MW: 342.301 | Formula: C14H18N2O8
  • H donors: 4 H acceptors: 6 LogP: -1.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C=C/c1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)CO
  • InChi: 1S/C14H18N2O8/c1-2-23-9(18)4-3-7-5-16(14(22)15-12(7)21)13-11(20)10(19)8(6-17)24-13/h3-5,8,10-11,13,17,19-20H,2,6H2,1H3,(H,15,21,22)/b4-3+/t8-,10-,11+,13-/m1/s1
  • InChiKey: ATSFSUUXRHMGQU-VFGKCITPSA-N  

Network

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Synonyms

  • ethyl (E)-3-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enoate
  • (E)-3-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,4-dioxo-5-pyrimidinyl]-2-propenoic acid ethyl ester
  • ethyl (E)-3-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enoate
  • (E)-3-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidin-5-yl]acrylic acid ethyl ester
  • (E)-3-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2,4-dioxo-5-pyrimidinyl]prop-2-enoic acid ethyl ester

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
Leishmania major beta tubulin 0.0232 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0232 1 1
Trichomonas vaginalis tubulin, putative 0.0232 1 1
Giardia lamblia Beta tubulin 0.0232 1 1
Echinococcus granulosus beta tubulin 0.0232 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0232 1 1
Trypanosoma brucei epsilon tubulin 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin beta chain, putative 0.0074 0.0974 0.0974
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.2231 0.2231
Brugia malayi Tubulin beta chain 0.0074 0.0974 0.0974
Leishmania major beta tubulin 0.0232 1 1
Echinococcus multilocularis tubulin subunit beta 0.0232 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.013 0.4188 0.4188
Trypanosoma brucei beta tubulin 0.013 0.4188 0.4188
Giardia lamblia Alpha-tubulin 0.0186 0.7363 0.7363
Echinococcus multilocularis tubulin alpha 1C chain 0.0186 0.7363 0.7363
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.2231 0.2231
Entamoeba histolytica tubulin alpha-1 chain 0.0186 0.7363 0.6605
Leishmania major beta tubulin 0.0232 1 1
Schistosoma mansoni tubulin subunit alpha 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin alpha chain 0.0186 0.7363 0.7363
Leishmania major beta tubulin 0.0232 1 1
Trypanosoma brucei alpha tubulin 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin beta chain, putative 0.0232 1 1
Loa Loa (eye worm) BEN-1 protein 0.0232 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Entamoeba histolytica tubulin family protein 0.0232 1 1
Trypanosoma brucei polo-like protein kinase 0.0096 0.2231 0.2231
Echinococcus multilocularis hypothetical protein 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin alpha chain 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin epsilon chain, putative 0.0232 1 1
Plasmodium vivax tubulin beta chain, putative 0.0232 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0112 0.3175 0.3175
Echinococcus granulosus tubulin epsilon chain 0.013 0.4188 0.4188
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Echinococcus granulosus tubulin beta 4A class IVa 0.0232 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin alpha chain 0.0186 0.7363 0.7363
Giardia lamblia Alpha-tubulin 0.0186 0.7363 0.7363
Echinococcus multilocularis tubulin alpha 1C chain 0.0186 0.7363 0.7363
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.2231 0.2231
Trichomonas vaginalis tubulin epsilon chain, putative 0.0186 0.7363 0.7363
Brugia malayi Tubulin alpha-2 chain 0.0186 0.7363 0.7363
Schistosoma mansoni alpha tubulin 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.013 0.4149 0.4149
Trypanosoma brucei beta tubulin 0.0232 1 1
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Leishmania major beta tubulin 0.0232 1 1
Brugia malayi beta-tubulin, identical 0.0232 1 1
Echinococcus multilocularis tubulin alpha chain 0.0186 0.7363 0.7363
Trypanosoma cruzi epsilon tubulin, putative 0.013 0.4188 0.4188
Loa Loa (eye worm) hypothetical protein 0.013 0.4149 0.4149
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Echinococcus multilocularis peroxisome assembly protein 26 0.0186 0.7363 0.7363
Leishmania major beta tubulin 0.0232 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0232 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0232 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0057 0 0.5
Echinococcus granulosus tubulin alpha 1C chain 0.0186 0.7363 0.7363
Schistosoma mansoni tubulin subunit beta 0.0232 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0186 0.7363 0.7363
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Leishmania major beta tubulin 0.0232 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.2231 0.2231
Trypanosoma brucei epsilon tubulin 0.013 0.4188 0.4188
Entamoeba histolytica tubulin family protein 0.0232 1 1
Echinococcus multilocularis tubulin alpha 0.013 0.4188 0.4188
Plasmodium falciparum tubulin beta chain 0.0232 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0186 0.7363 0.7363
Trypanosoma brucei alpha tubulin 0.0186 0.7363 0.7363
Schistosoma mansoni tubulin subunit beta 0.0232 1 1
Echinococcus multilocularis tubulin alpha chain 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0112 0.3175 0.3175
Trypanosoma brucei alpha tubulin 0.0186 0.7363 0.7363
Leishmania major beta tubulin 0.0232 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.7363 0.7363
Loa Loa (eye worm) tubulin beta chain 0.0232 1 1
Plasmodium vivax tubulin epsilon chain, putative 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.7363 0.7363
Plasmodium vivax tubulin gamma chain, putative 0.013 0.4188 0.4188
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Trypanosoma cruzi epsilon tubulin, putative 0.013 0.4188 0.4188
Giardia lamblia Beta tubulin 0.0232 1 1
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0232 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0057 0 0.5
Echinococcus granulosus tubulin alpha 1C chain 0.0186 0.7363 0.7363
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.7363 0.7363
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.0974 0.0974
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.0974 0.0974
Trypanosoma cruzi beta tubulin, putative 0.0232 1 1
Trypanosoma brucei alpha tubulin 0.0186 0.7363 0.7363
Leishmania major beta tubulin 0.0232 1 1
Echinococcus multilocularis tubulin alpha chain 0.0186 0.7363 0.7363
Brugia malayi Tubulin alpha-2 chain 0.0186 0.7363 0.7363
Loa Loa (eye worm) tubulin beta-4 chain 0.0232 1 1
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.2231 0.2231
Mycobacterium leprae cell division protein FtsZ 0.0057 0 0.5
Schistosoma mansoni tubulin subunit epsilon 0.013 0.4188 0.4188
Treponema pallidum cell division protein FtsZ 0.0057 0 0.5
Leishmania major beta tubulin 0.0232 1 1
Trypanosoma brucei beta tubulin 0.0232 1 1
Trichomonas vaginalis tubulin, putative 0.0074 0.0974 0.0974
Trypanosoma brucei tubulin gamma chain 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.7363 0.7363
Loa Loa (eye worm) tubulin beta-2A chain 0.0232 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0186 0.7363 0.7363
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.2231 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin alpha chain, putative 0.0074 0.0974 0.0974
Loa Loa (eye worm) alpha-tubulin 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin alpha chain 0.0186 0.7363 0.7363
Echinococcus granulosus Tubulin beta 2C chain 0.0232 1 1
Schistosoma mansoni tubulin subunit beta 0.0232 1 1
Leishmania major gamma-tubulin 0.013 0.4188 0.4188
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Loa Loa (eye worm) tubulin alpha 2 0.013 0.4149 0.4149
Schistosoma mansoni tubulin subunit beta 0.0232 1 1
Echinococcus granulosus tubulin subunit beta 0.0232 1 1
Giardia lamblia Kinase, PLK 0.0096 0.2231 0.2231
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin alpha chain 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin beta 1 chain 0.0232 1 1
Toxoplasma gondii beta-tubulin, putative 0.0232 1 1
Loa Loa (eye worm) tubulin alpha chain 0.0186 0.7363 0.7363
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.2231 0.2231
Schistosoma mansoni tubulin subunit beta 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Plasmodium falciparum alpha tubulin 2 0.0186 0.7363 0.7363
Schistosoma mansoni tubulin subunit alpha 0.0186 0.7363 0.7363
Toxoplasma gondii alpha-tubulin I, putative 0.0186 0.7363 0.7363
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Loa Loa (eye worm) alpha-tubulin isotype 2 0.013 0.4149 0.4149
Trichomonas vaginalis tubulin alpha chain, putative 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Loa Loa (eye worm) beta-tubulin 0.0232 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.013 0.4188 0.4188
Plasmodium falciparum alpha tubulin 1 0.0186 0.7363 0.7363
Loa Loa (eye worm) tubulin alpha 2 0.013 0.4149 0.4149
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Schistosoma mansoni tubulin subunit alpha 0.0186 0.7363 0.7363
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2231 0.2231
Trypanosoma cruzi tubulin gamma chain 0.013 0.4188 0.4188
Plasmodium falciparum tubulin gamma chain 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.7363 0.7363
Giardia lamblia Beta tubulin 0.0232 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.013 0.4188 0.4188
Echinococcus granulosus alpha tubulin 0.0186 0.7363 0.7363
Echinococcus granulosus beta tubulin 0.0232 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.2231 0.2231
Echinococcus granulosus Tubulin alpha 1 chain 0.0186 0.7363 0.7363
Echinococcus multilocularis Tubulin beta 2C chain 0.0232 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0186 0.7363 0.6605
Trypanosoma brucei beta tubulin 0.0232 1 1
Brugia malayi Tubulin alpha chain 0.0186 0.7363 0.7363
Echinococcus multilocularis beta tubulin 0.0232 1 1
Brugia malayi alpha-tubulin 0.0186 0.7363 0.7363
Schistosoma mansoni tubulin subunit gamma 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0074 0.0974 0.0974
Schistosoma mansoni alpha tubulin 0.0186 0.7363 0.7363
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Echinococcus multilocularis tubulin alpha 3 chain 0.0186 0.7363 0.7363
Echinococcus granulosus tubulin alpha 0.013 0.4188 0.4188
Echinococcus granulosus tubulin subunit TubB 0.0186 0.7363 0.7363
Echinococcus multilocularis Tubulin alpha 1 chain 0.0186 0.7363 0.7363
Leishmania major beta tubulin 0.0232 1 1
Brugia malayi tubulin alpha chain - mouse 0.0186 0.7363 0.7363
Loa Loa (eye worm) hypothetical protein 0.0186 0.7363 0.7363
Trypanosoma brucei beta tubulin 0.0232 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0186 0.7363 0.7363
Echinococcus multilocularis Tubulin alpha 1 chain 0.0186 0.7363 0.7363
Trypanosoma brucei alpha tubulin, putative 0.0074 0.0974 0.0974
Echinococcus multilocularis tubulin alpha chain 0.0186 0.7363 0.7363
Loa Loa (eye worm) BEN-1 protein 0.0232 1 1
Echinococcus multilocularis tubulin epsilon chain 0.013 0.4188 0.4188
Entamoeba histolytica tubulin gamma chain 0.013 0.4188 0.2518
Echinococcus multilocularis Tubulin beta 2C chain 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Loa Loa (eye worm) alpha-tubulin 0.0186 0.7363 0.7363
Loa Loa (eye worm) tubulin alpha chain 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.7363 0.7363
Plasmodium vivax tubulin alpha chain, putative 0.0186 0.7363 0.7363
Echinococcus multilocularis tubulin alpha chain 0.0186 0.7363 0.7363
Loa Loa (eye worm) tubulin gamma chain 0.013 0.4188 0.4188
Echinococcus granulosus Tubulin beta 2C chain 0.0232 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin gamma chain, putative 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Giardia lamblia Gamma tubulin 0.013 0.4188 0.4188
Echinococcus granulosus peroxisome assembly protein 26 0.0186 0.7363 0.7363
Loa Loa (eye worm) hypothetical protein 0.0112 0.3175 0.3175
Brugia malayi Tubulin gamma chain 0.013 0.4188 0.4188
Echinococcus granulosus tubulin gamma 1 chain 0.013 0.4188 0.4188
Trichomonas vaginalis tubulin, putative 0.0074 0.0974 0.0974
Loa Loa (eye worm) tubulin beta-1 chain 0.0232 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0186 0.7363 0.7363
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Echinococcus multilocularis Tubulin beta 2C chain 0.0232 1 1
Leishmania major epsilon tubulin, putative 0.013 0.4188 0.4188
Loa Loa (eye worm) tubulin alpha-2 chain 0.0186 0.7363 0.7363
Echinococcus multilocularis tubulin beta 1 chain 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Toxoplasma gondii beta tubulin 0.0232 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.2231 0.2231
Brugia malayi tubulin alpha-2 chain 0.0186 0.7363 0.7363
Echinococcus granulosus Tubulin alpha 1 chain 0.0186 0.7363 0.7363
Toxoplasma gondii beta-1 tubulin, putative 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.013 0.4188 0.4188
Echinococcus multilocularis tubulin alpha 3 chain 0.0186 0.7363 0.7363
Trypanosoma cruzi alpha tubulin, putative 0.0186 0.7363 0.7363
Schistosoma mansoni alpha tubulin 0.0186 0.7363 0.7363
Schistosoma mansoni tubulin subunit beta 0.0232 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0232 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0057 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0186 0.7363 0.7363
Trichomonas vaginalis tubulin gamma chain, putative 0.013 0.4188 0.4188
Echinococcus multilocularis beta tubulin 0.0232 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0232 1 1
Leishmania major beta tubulin 0.0232 1 1
Leishmania major alpha tubulin 0.0186 0.7363 0.7363
Trypanosoma brucei epsilon tubulin 0.013 0.4188 0.4188
Toxoplasma gondii alpha tubulin TUBA1 0.0186 0.7363 0.7363

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium bovis BCG at 100 ug/mL by microplate Alamar blue assay ChEMBL. 17602465
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium tuberculosis H37Ra at 100 ug/mL by microplate Alamar blue assay ChEMBL. 17602465
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium avium ATCC 25291 at 100 ug/mL by microplate Alamar blue assay ChEMBL. 17602465
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium tuberculosis H37Ra at 100 ug/mL by microplate Alamar blue assay ChEMBL. 17602465

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

1 literature reference was collected for this gene.

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