Detailed information for compound 1991232

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.288 | Formula: C10H14F4N2O4S
  • H donors: 4 H acceptors: 3 LogP: 0.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCNC1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)[C@@H](C(F)(F)F)O
  • InChi: 1S/C10H14F4N2O4S/c11-1-2-15-9-16-3-4(17)5(18)6(20-8(3)21-9)7(19)10(12,13)14/h3-8,17-19H,1-2H2,(H,15,16)/t3-,4-,5+,6+,7+,8-/m1/s1
  • InChiKey: HNUIWBUJJKTTAX-QDJMVLKXSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens meningioma expressed antigen 5 (hyaluronidase) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis bifunctional protein NCOAT Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma mansoni aminopeptidase P homologue (M24 family) Get druggable targets OG5_131612 All targets in OG5_131612
Brugia malayi Hyaluronidase family protein Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma mansoni Hyaluronidase Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma japonicum ko:K01197 hyaluronoglucosaminidase [EC3.2.1.35], putative Get druggable targets OG5_131612 All targets in OG5_131612
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma japonicum ko:K01262 X-Pro aminopeptidase [EC3.4.11.9], putative Get druggable targets OG5_131612 All targets in OG5_131612
Loa Loa (eye worm) hyaluronidase Get druggable targets OG5_131612 All targets in OG5_131612
Echinococcus granulosus bifunctional protein NCOAT Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma japonicum Bifunctional protein NCOAT, putative Get druggable targets OG5_131612 All targets in OG5_131612
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
Schistosoma mansoni hypothetical protein 0.0401 0.4747 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0112 0.0095
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0112 0.0095
Echinococcus granulosus smad 0.0036 0.013 0.0039
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.013 0.0124
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0052 1
Loa Loa (eye worm) hyaluronidase 0.0327 0.3818 0.5984
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0052 1
Echinococcus multilocularis Smad4 0.0036 0.013 0.0018
Echinococcus granulosus tumor susceptibility gene 101 protein 0.008 0.0691 0.125
Echinococcus granulosus bifunctional protein NCOAT 0.0327 0.3818 0.7995
Brugia malayi MH2 domain containing protein 0.0036 0.013 0.0124
Schistosoma mansoni hypothetical protein 0.008 0.0688 0.1243
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0052 1
Brugia malayi MH1 domain containing protein 0.0036 0.013 0.0124
Echinococcus granulosus TGF beta signal transducer SmadC 0.0036 0.013 0.0039
Leishmania major hypothetical protein, conserved 0.003 0.0052 1
Loa Loa (eye worm) Smad1 0.0036 0.013 0.0124
Entamoeba histolytica hypothetical protein 0.008 0.0688 1
Entamoeba histolytica hypothetical protein 0.008 0.0688 1
Schistosoma mansoni transcription factor LCR-F1 0.008 0.0688 0.1243
Schistosoma mansoni smad1 5 8 and 0.0036 0.013 0.0039
Trichomonas vaginalis hypothetical protein 0.0039 0.017 0.5
Brugia malayi MH2 domain containing protein 0.0527 0.6345 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0691 0.1016
Schistosoma mansoni smad1 5 8 and 0.0036 0.013 0.0039
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.013 0.0124
Loa Loa (eye worm) hypothetical protein 0.0139 0.1435 0.2198
Brugia malayi hypothetical protein 0.008 0.0688 0.1011
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0052 0.5
Schistosoma mansoni hypothetical protein 0.0074 0.0618 0.1093
Schistosoma mansoni Smad4 0.0036 0.013 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0618 0.09
Brugia malayi Hyaluronidase family protein 0.0327 0.3818 0.5984
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0052 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0036 0.013 0.0039
Schistosoma mansoni Hyaluronidase 0.0327 0.3818 0.7995
Loa Loa (eye worm) MH2 domain-containing protein 0.0527 0.6345 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0112 0.0095
Schistosoma mansoni hypothetical protein 0.0401 0.4747 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.1055 0.1594
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.008 0.0691 0.0586
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0036 0.013 0.0018
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0327 0.3818 0.7995
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1055 0.1594
Schistosoma mansoni tsg101-related 0.0055 0.0366 0.0549
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0112 0.0095
Brugia malayi Smad1 0.0036 0.013 0.0124
Echinococcus granulosus geminin 0.0401 0.4747 1
Schistosoma mansoni tsg101-related 0.0067 0.0521 0.0883
Loa Loa (eye worm) transcription factor SMAD2 0.0527 0.6345 1
Brugia malayi hypothetical protein 0.008 0.0691 0.1016
Schistosoma mansoni tsg101-related 0.0067 0.0521 0.0883
Brugia malayi MH1 domain containing protein 0.0036 0.013 0.0124
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0052 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0036 0.013 0.0039
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.0688 0.0583
Echinococcus multilocularis mothers against decapentaplegic 5 0.0036 0.013 0.0018
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.0688 0.1243
Brugia malayi MH2 domain containing protein 0.0036 0.013 0.0124
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1055 0.1594
Entamoeba histolytica hypothetical protein 0.008 0.0688 1
Echinococcus multilocularis bifunctional protein NCOAT 0.0327 0.3818 0.3748
Schistosoma mansoni smad1 5 8 and 0.0036 0.013 0.0039
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1055 0.1594
Schistosoma mansoni smad 0.0036 0.013 0.0039
Entamoeba histolytica hypothetical protein 0.008 0.0688 1
Echinococcus multilocularis geminin 0.0401 0.4747 0.4688
Echinococcus granulosus Smad4 0.0036 0.013 0.0039
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0052 0.5
Echinococcus multilocularis smad 0.0036 0.013 0.0018
Loa Loa (eye worm) hypothetical protein 0.0074 0.0618 0.09

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.8 nM BindingDB_Patents: Inhibition Assay. Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-ß-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction is 0.7 nM. Test compound of varying concentrations is added to the enzyme prior to initiation of the reaction. The reaction is performed at room temperature in a 96-well plate and is initiated with the addition of substrate. The production of fluorescent product is measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production is determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. ChEMBL. No reference

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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