Detailed information for compound 432795

Basic information

Technical information
  • TDR Targets ID: 432795
  • Name: 5-chloro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2 -yl]pyrimidine-2,4-dione
  • MW: 246.648 | Formula: C9H11ClN2O4
  • H donors: 2 H acceptors: 3 LogP: -0.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1CC[C@@H](O1)n1cc(Cl)c(=O)[nH]c1=O
  • InChi: 1S/C9H11ClN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7+/m0/s1
  • InChiKey: VMZOLVOHWONZSQ-CAHLUQPWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-chloro-1-[(2R,5S)-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-chloro-1-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 127592-40-9
  • AIDS001326
  • Uridine, 5-chloro-2',3'-dideoxy-
  • 2,3'-Dideoxy-5-chlorouridine
  • 5-ClddU
  • AIDS-001326

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 ABC transporter, putative 0.001 0.2314 0.1838
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.2314 0.2314
Trichomonas vaginalis ABC transporter, putative 0.001 0.2314 0.1838
Loa Loa (eye worm) hypothetical protein 0.001 0.2314 0.2314
Leishmania major eukaryotic initiation factor 4a, putative 0.0024 1 1
Onchocerca volvulus 0.001 0.2314 0.2314
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.2314 0.1838
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0024 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.2314 0.1838
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0024 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.2314 0.1838
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0024 1 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.2314 0.1838
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0024 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.2314 0.2314
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.2314 0.2314
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.2314 0.1838
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.2314 0.2314
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Mycobacterium ulcerans hypothetical protein 0.0006 0 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0024 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Trichomonas vaginalis ABC transporter, putative 0.001 0.2314 0.1838
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.2314 0.2314
Loa Loa (eye worm) hypothetical protein 0.001 0.2314 0.2314
Trichomonas vaginalis abcb9, putative 0.001 0.2314 0.1838
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0024 1 0.5
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.001 0.2314 0.5
Schistosoma mansoni multidrug resistance protein 0.001 0.2314 0.2314
Loa Loa (eye worm) multidrug resistance protein 3 0.001 0.2314 0.2314
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0024 1 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0024 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0024 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.2314 0.2314
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0024 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0024 1 1
Schistosoma mansoni multidrug resistance protein 0.001 0.2314 0.2314
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.2314 0.2314
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.2314 0.1838
Trichomonas vaginalis abcb9, putative 0.001 0.2314 0.1838
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0024 1 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.2314 0.2314
Echinococcus granulosus multidrug resistance protein 1 0.001 0.2314 0.2314
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.2314 0.1838
Trichomonas vaginalis ABC transporter, putative 0.001 0.2314 0.1838
Echinococcus multilocularis multidrug resistance protein 1 0.0007 0.0583 0.0583
Echinococcus granulosus multidrug resistance protein 1 0.001 0.2314 0.2314
Plasmodium falciparum eukaryotic initiation factor 4A 0.0024 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.2314 0.2314
Echinococcus multilocularis ATP binding cassette sub family B 0.001 0.2251 0.2251
Brugia malayi multidrug resistance protein 3 0.001 0.2314 0.2314
Trichomonas vaginalis taga, putative 0.001 0.2314 0.1838
Echinococcus granulosus multidrug resistance protein 1 0.0007 0.0583 0.0583
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.2314 0.1838
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.2314 0.2314
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0024 1 1
Plasmodium vivax RNA helicase-1, putative 0.0024 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.2314 0.1838
Schistosoma mansoni smdr2 0.001 0.2314 0.2314
Trichomonas vaginalis abcb9, putative 0.001 0.2314 0.1838
Loa Loa (eye worm) hypothetical protein 0.001 0.2251 0.2251
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.001 0.2314 0.2314
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0024 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0024 1 1
Brugia malayi ABC transporter family protein 0.001 0.2314 0.2314
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.001 0.2251 0.2251
Schistosoma mansoni multidrug resistance protein 0.001 0.2314 0.2314
Echinococcus granulosus multidrug resistance protein 1 0.001 0.2314 0.2314
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.2314 0.2314
Echinococcus granulosus multidrug resistance protein 1 0.0007 0.0583 0.0583
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium tuberculosis H37Ra at 100 uM by microplate alamar blue assay ChEMBL. 17696514
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium bovis BCG at 100 uM by microplate alamar blue assay ChEMBL. 17696514
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium avium ATCC 25291 at 100 uM by microplate alamar blue assay ChEMBL. 17696514
Inhibition (functional) = 0 % Antimycobacterial activity against Mycobacterium tuberculosis H37Ra at 100 uM by microplate alamar blue assay ChEMBL. 17696514

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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