Detailed information for compound 582985

Basic information

Technical information
  • TDR Targets ID: 582985
  • Name: 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy methyl)tetrahydrofuran-2-yl]-4-oxo-2-thioxo-p yrimidin-5-yl]methylamino]acetic acid
  • MW: 347.344 | Formula: C12H17N3O7S
  • H donors: 6 H acceptors: 6 LogP: -4.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(CNCC(=O)O)c(=O)[nH]c1=S
  • InChi: 1S/C12H17N3O7S/c16-4-6-8(19)9(20)11(22-6)15-3-5(1-13-2-7(17)18)10(21)14-12(15)23/h3,6,8-9,11,13,16,19-20H,1-2,4H2,(H,17,18)(H,14,21,23)/t6-,8-,9-,11-/m1/s1
  • InChiKey: VKLFQTYNHLDMDP-PNHWDRBUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-oxo-2-thioxo-5-pyrimidinyl]methylamino]acetic acid
  • 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-pyrimidin-5-yl]methylamino]ethanoic acid
  • 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-keto-2-thioxo-pyrimidin-5-yl]methylamino]acetic acid
  • 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylamino]acetic acid
  • 5-(carboxymethylaminomethyl)-2-thiouridine
  • 78173-95-2
  • 5-Cmtu
  • Glycine, N-((1,2,3,4-tetrahydro-4-oxo-1-beta-D-ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl)-

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
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.0263 0.0263
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0263 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0263 1
Mycobacterium tuberculosis Probable aminotransferase 0.0153 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0263 0.0263
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0263 0.0263
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Mycobacterium ulcerans L-lysine aminotransferase 0.0022 0.0263 0.0263
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0263 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0022 0.0263 0.0263
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0263 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0263 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0263 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0153 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0263 1
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0263 0.0263
Echinococcus granulosus Aminotransferase class III 0.0022 0.0263 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0263 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.0263 0.0263
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0153 1 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.0263 0.0263
Mycobacterium ulcerans hypothetical protein 0.0153 1 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0263 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0263 0.0263
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0153 1 1
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0263 1
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0263 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0263 0.0263
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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