Detailed information for compound 1059179

Basic information

Technical information
  • TDR Targets ID: 1059179
  • Name: butan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-amino -2-oxopyrimidin-1-yl)-2-azido-3,4-dihydroxyox olan-2-yl]methoxy-(phenoxy)phosphoryl]amino]p ropanoate
  • MW: 567.489 | Formula: C22H30N7O9P
  • H donors: 4 H acceptors: 5 LogP: 0.77 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(OC(=O)[C@@H](NP(=O)(Oc1ccccc1)OC[C@@]1(N=[N+]=[N-])O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)C)C
  • InChi: 1S/C22H30N7O9P/c1-4-13(2)36-20(32)14(3)26-39(34,38-15-8-6-5-7-9-15)35-12-22(27-28-24)18(31)17(30)19(37-22)29-11-10-16(23)25-21(29)33/h5-11,13-14,17-19,30-31H,4,12H2,1-3H3,(H,26,34)(H2,23,25,33)/t13?,14-,17+,18-,19+,22+,39?/m0/s1
  • InChiKey: RZSSOQVZXXQQNQ-OZQYVFMTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • sec-butyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(phenoxy)phosphoryl]amino]propanoate
  • (2S)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-azido-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-(phenoxy)phosphoryl]amino]propanoic acid sec-butyl ester
  • (2S)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(phenoxy)phosphoryl]amino]propionic acid sec-butyl ester
  • butan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-dihydroxy-oxolan-2-yl]methoxy-(phenoxy)phosphoryl]amino]propanoate

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
Brugia malayi RNA binding protein 0.0127 0.1392 0.1428
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0055 0.0125
Loa Loa (eye worm) RNA binding protein 0.0127 0.1392 0.1428
Schistosoma mansoni lipoxygenase 0.0121 0.1307 0.3345
Echinococcus granulosus tumor protein p63 0.033 0.4378 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.2366 0.5405
Brugia malayi TAR-binding protein 0.0127 0.1392 0.1428
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0396 0.1006
Brugia malayi glutaminase DH11.1 0.0267 0.3451 0.354
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0396 0.1006
Echinococcus multilocularis tar DNA binding protein 0.0127 0.1392 0.3179
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0345 0.0883
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0345 0.0788
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0245 0.0252
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.5
Loa Loa (eye worm) inositol-1 0.0036 0.0055 0.0056
Loa Loa (eye worm) hypothetical protein 0.0231 0.2921 0.2996
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2921 0.6672
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1392 0.3561
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0055 0.5
Schistosoma mansoni lipoxygenase 0.0085 0.0771 0.1972
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0245 0.0628
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0245 0.056
Onchocerca volvulus 0.0048 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.068 0.9524 0.977
Loa Loa (eye worm) glutaminase 0.0267 0.3451 0.354
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1239 0.1271
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0245 0.056
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0245 0.0628
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0345 0.0788
Onchocerca volvulus 0.0148 0.1695 0.1695
Loa Loa (eye worm) hypothetical protein 0.0048 0.0234 0.0241
Mycobacterium ulcerans glutaminase 0.0267 0.3451 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1392 0.3561
Loa Loa (eye worm) glutaminase 2 0.0267 0.3451 0.354
Echinococcus granulosus tar DNA binding protein 0.0127 0.1392 0.3179
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0345 0.0788
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.1392 0.1428
Schistosoma mansoni hypothetical protein 0.0298 0.3909 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0055 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0234 0.06
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0055 0.0125
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0396 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0396 0.1014
Loa Loa (eye worm) hypothetical protein 0.0056 0.0345 0.0354
Brugia malayi hypothetical protein 0.0231 0.2921 0.2996
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0345 0.0788
Brugia malayi nuclear hormone receptor 0.0695 0.9749 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2921 0.6672
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0396 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0245 0.0245
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.1392 0.1428
Schistosoma mansoni hypothetical protein 0.0047 0.0217 0.0555
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.2366 0.5405
Onchocerca volvulus 0.0047 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0148 0.1695 0.1738
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1392 0.3561
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1239 0.1271
Brugia malayi mbt repeat family protein 0.0049 0.0245 0.0252
Schistosoma mansoni inositol monophosphatase 0.0036 0.0055 0.014
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.1307 0.2986
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0396 0.1014
Brugia malayi MH2 domain containing protein 0.0117 0.1239 0.1271
Schistosoma mansoni survival motor neuron protein 0.0047 0.0217 0.0555
Loa Loa (eye worm) MBCTL1 0.0056 0.0345 0.0354
Brugia malayi hypothetical protein 0.0148 0.1695 0.1738
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.1307 0.2986
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0345 0.0354
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0695 0.9749 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0396 0.0905
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0245 0.0628
Loa Loa (eye worm) TAR-binding protein 0.0127 0.1392 0.1428
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0217 0.0222
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0396 0.0905
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0245 0.056
Loa Loa (eye worm) hypothetical protein 0.0049 0.0245 0.0252
Schistosoma mansoni inositol monophosphatase 0.0036 0.0055 0.014
Trichomonas vaginalis glutaminase, putative 0.0267 0.3451 1
Echinococcus multilocularis tumor protein p63 0.033 0.4378 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0396 0.1006
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1392 0.3561
Brugia malayi Inositol-1 0.0036 0.0055 0.0056
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0396 1
Schistosoma mansoni glutaminase 0.0267 0.3451 0.8829
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1392 0.3561
Brugia malayi mbt repeat family protein 0.0049 0.0245 0.0252
Onchocerca volvulus 0.0049 0.0245 0.0245
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0245 0.056

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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