Detailed information for compound 1011135

Basic information

Technical information
  • TDR Targets ID: 1011135
  • Name: 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydrox ymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-d ione
  • MW: 260.219 | Formula: C10H13FN2O5
  • H donors: 3 H acceptors: 4 LogP: -1.09 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)F)n1ccc(=O)[nH]c1=O
  • InChi: 1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m1/s1
  • InChiKey: ARKKGZQTGXJVKW-VPCXQMTMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-oxolan-2-yl]pyrimidine-2,4-dione

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
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0213 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0042 0.0474 0.0389
Schistosoma mansoni ran 0.0024 0.0172 0.0102
Echinococcus granulosus importin subunit beta 1 0.0032 0.0314 0.0274
Echinococcus multilocularis dna polymerase eta 0.0019 0.01 0.0013
Echinococcus granulosus dna polymerase kappa 0.0019 0.01 0.0013
Brugia malayi MH2 domain containing protein 0.0019 0.0089 0.0024
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0172 0.0084
Brugia malayi MH1 domain containing protein 0.0042 0.0474 0.0412
Echinococcus granulosus dna polymerase eta 0.0019 0.01 0.0013
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0286 0.4554 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0013
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0035
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0075
Leishmania major GTP-binding protein, putative 0.0024 0.0172 0.5898
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Schistosoma mansoni smad1 5 8 and 0.0042 0.0474 0.047
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0223 0.0115
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Echinococcus multilocularis Smad4 0.0042 0.0474 0.047
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0172 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0213 0.9163
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.01 0.0035
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.01 0.0011
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.0574 0.0918
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0019 0.0089 0.5
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0286 0.4554 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0223 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0286 0.4554 1
Loa Loa (eye worm) Smad1 0.0042 0.0474 0.0389
Loa Loa (eye worm) hypothetical protein 0.0019 0.01 0.0011
Plasmodium falciparum importin beta, putative 0.0032 0.0314 0.0323
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0223 0.0115
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0223 0.1254
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0172 0.5493
Echinococcus multilocularis geminin 0.051 0.8285 1
Trypanosoma brucei unspecified product 0.0019 0.01 0.3183
Schistosoma mansoni smad 0.0042 0.0474 0.047
Loa Loa (eye worm) transcription factor SMAD2 0.0612 1 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0019 0.0089 0.0024
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0314 0.0274
Schistosoma mansoni Smad4 0.0042 0.0474 0.047
Entamoeba histolytica Ran family GTPase 0.0024 0.0172 0.6437
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0048 0.0574 0.0592
Echinococcus granulosus expressed protein 0.0048 0.0574 0.0592
Loa Loa (eye worm) MH1 domain-containing protein 0.0042 0.0474 0.0389
Brugia malayi hypothetical protein 0.0027 0.0223 0.0159
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0172 0.0102
Loa Loa (eye worm) hypothetical protein 0.0032 0.0314 0.0227
Echinococcus granulosus Smad4 0.0042 0.0474 0.047
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0223 0.0115
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.01 0.0013
Toxoplasma gondii TIM10 family protein, putative 0.0048 0.0574 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.01 0.0013
Brugia malayi Smad1 0.0042 0.0474 0.0412
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0223 1
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0048 0.0574 0.0513
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0286 0.4554 1
Brugia malayi MH1 domain containing protein 0.0042 0.0474 0.0412
Schistosoma mansoni hypothetical protein 0.0343 0.55 0.6602
Echinococcus granulosus TGF beta signal transducer SmadC 0.0042 0.0474 0.047
Echinococcus multilocularis dna polymerase kappa 0.0019 0.01 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.0574 0.0918
Trichomonas vaginalis ran, putative 0.0024 0.0172 0.6437
Echinococcus granulosus mothers against decapentaplegic 5 0.0042 0.0474 0.047
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.0574 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0213 1
Loa Loa (eye worm) nuclear factor I 0.0023 0.0163 0.0075
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0172 0.0108
Schistosoma mansoni importin beta-1 0.0032 0.0314 0.0274
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.3183
Schistosoma mansoni ran 0.0024 0.0172 0.0102
Schistosoma mansoni smad1 5 8 and 0.0042 0.0474 0.047
Echinococcus granulosus smad 0.0042 0.0474 0.047
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0314 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Leishmania major importin beta-1 subunit, putative 0.0026 0.0213 0.9163
Echinococcus granulosus snurportin 1 0.0343 0.55 0.6602
Echinococcus multilocularis expressed protein 0.0048 0.0574 0.0592
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Brugia malayi RNA, U transporter 1 0.0091 0.1302 0.1245
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0314 0.352
Brugia malayi Importin beta-1 subunit 0.0032 0.0314 0.025
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Treponema pallidum hypothetical protein 0.0286 0.4554 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.01 0.3183
Echinococcus multilocularis snurportin 1 0.0343 0.55 0.6602
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.3183
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0314 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.01 0.0013
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0042 0.0474 0.047
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.01 0.3183
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0286 0.4554 1
Schistosoma mansoni hypothetical protein 0.051 0.8285 1
Leishmania major hypothetical protein, conserved 0.0027 0.0223 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0612 1 1
Plasmodium vivax importin-beta 2, putative 0.0032 0.0314 0.0323
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0343 0.55 0.5459
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.01 0.0013
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0213 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0172 0.0102
Brugia malayi MH2 domain containing protein 0.0042 0.0474 0.0412
Loa Loa (eye worm) hypothetical protein 0.0027 0.0223 0.0135
Entamoeba histolytica hypothetical protein 0.0026 0.0213 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183
Echinococcus multilocularis smad 0.0042 0.0474 0.047
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0172 0.5898
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0042 0.0474 0.047
Brugia malayi MH1 domain containing protein 0.0023 0.0163 0.0099
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0048 0.0574 0.049
Echinococcus granulosus geminin 0.051 0.8285 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0172 0.5898
Brugia malayi MH1 domain containing protein 0.0023 0.0163 0.0099
Schistosoma mansoni smad1 5 8 and 0.0042 0.0474 0.047
Brugia malayi MH2 domain containing protein 0.0042 0.0474 0.0412
Schistosoma mansoni hypothetical protein 0.051 0.8285 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0042 0.0474 0.047
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0223 0.7099
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.01 0.3183

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activity of thymidine kinase 1 up to 1 mM ChEMBL. 17999967
Activity (binding) Activity of cloned uridine-cytidine kinase 1 in human HuH7 cells up to 1 mM ChEMBL. 17999967
Activity (binding) Activity of thymidine kinase 2 up to 1 mM ChEMBL. 17999967
Activity (binding) Activity of cloned deoxycytidine kinase in human HepG2 cells up to 1 mM ChEMBL. 17999967
CC50 (functional) > 100 uM Cytotoxic concentration of the compound against HCV replication RNA levels in Huh7 cells determined by HCV replicon assay ChEMBL. 16107149
EC90 (functional) > 100 uM Effective concentration required to reduce HCV replication RNA levels in Huh7 cells by 90% determined by HCV replicon assay ChEMBL. 16107149

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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