Detailed information for compound 1991223

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.297 | Formula: C10H15F3N2O5S
  • H donors: 3 H acceptors: 3 LogP: 0.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CON(C1=N[C@H]2[C@@H](S1)O[C@@H]([C@H]([C@@H]2O)O)[C@H](C(F)(F)F)O)C
  • InChi: 1S/C10H15F3N2O5S/c1-15(19-2)9-14-3-4(16)5(17)6(20-8(3)21-9)7(18)10(11,12)13/h3-8,16-18H,1-2H3/t3-,4-,5+,6+,7-,8-/m1/s1
  • InChiKey: QZUMZUIOXMTRMY-YQOPPWPCSA-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
Loa Loa (eye worm) hypothetical protein 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
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 ko:K01197 hyaluronoglucosaminidase [EC3.2.1.35], putative Get druggable targets OG5_131612 All targets in OG5_131612
Echinococcus multilocularis bifunctional protein NCOAT Get druggable targets OG5_131612 All targets in OG5_131612
Schistosoma mansoni Hyaluronidase 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 aminopeptidase P homologue (M24 family) 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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.1012 0.109
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0032 0.0065 0.8116
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.009 0.0097
Brugia malayi F/Y-rich N-terminus family protein 0.0032 0.007 0.0076
Leishmania major hypothetical protein, conserved 0.0032 0.0065 0.8116
Schistosoma mansoni smad1 5 8 and 0.0054 0.0334 0.0422
Echinococcus multilocularis smad 0.0054 0.0334 0.027
Loa Loa (eye worm) Smad1 0.0054 0.0334 0.036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0101 0.0109
Echinococcus granulosus peregrin 0.0099 0.0874 0.1273
Entamoeba histolytica hypothetical protein 0.0036 0.0122 0.0645
Loa Loa (eye worm) jmjC domain-containing protein 0.0032 0.0065 0.007
Echinococcus granulosus lysine specific demethylase 5A 0.0119 0.1126 0.1668
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0032 0.007 0.0802
Brugia malayi jmjC domain containing protein 0.0032 0.0065 0.007
Onchocerca volvulus Alhambra homolog 0.0099 0.0874 0.5
Loa Loa (eye worm) hypothetical protein 0.0169 0.1728 0.1862
Loa Loa (eye worm) hypothetical protein 0.0139 0.1364 0.147
Echinococcus granulosus Smad4 0.0054 0.0334 0.0422
Loa Loa (eye worm) hypothetical protein 0.0099 0.0874 0.0942
Brugia malayi MH2 domain containing protein 0.0792 0.9281 1
Brugia malayi MH1 domain containing protein 0.0054 0.0334 0.036
Schistosoma mansoni jumonji domain containing protein 0.0257 0.2789 0.4283
Toxoplasma gondii PHD-finger domain-containing protein 0.0099 0.0874 1
Schistosoma mansoni smad1 5 8 and 0.0054 0.0334 0.0422
Echinococcus granulosus jumonji domain containing protein 0.0137 0.1342 0.2009
Toxoplasma gondii PHD-finger domain-containing protein 0.0099 0.0874 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0054 0.0334 0.0422
Loa Loa (eye worm) MH1 domain-containing protein 0.0054 0.0334 0.036
Echinococcus granulosus mothers against decapentaplegic 5 0.0054 0.0334 0.0422
Brugia malayi MH1 domain containing protein 0.0054 0.0334 0.036
Brugia malayi MH2 domain containing protein 0.0054 0.0334 0.036
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0032 0.0065 0.8116
Plasmodium vivax JmjC domain containing protein 0.0032 0.0065 0.0747
Schistosoma mansoni hypothetical protein 0.0557 0.6423 1
Plasmodium vivax hypothetical protein, conserved 0.0032 0.007 0.0802
Plasmodium falciparum JmjC domain-containing protein, putative 0.0032 0.0065 0.0747
Loa Loa (eye worm) jmjC domain-containing protein 0.0032 0.0065 0.007
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0032 0.0065 0.8116
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0101 0.0109
Schistosoma mansoni jumonji/arid domain-containing protein 0.0119 0.1126 0.1668
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0086 0.0721 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0323 0.3593 0.3551
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0327 0.3645 0.563
Loa Loa (eye worm) jmjC domain-containing protein 0.0119 0.1126 0.1213
Brugia malayi jmjC domain containing protein 0.0032 0.0065 0.007
Brugia malayi AF-10 protein 0.0032 0.007 0.0076
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0122 0.0057
Plasmodium falciparum phd finger protein, putative 0.0099 0.0874 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0204 0.2147 0.2313
Schistosoma mansoni hypothetical protein 0.0035 0.0101 0.0056
Giardia lamblia PHD finger protein 15 0.0099 0.0874 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0137 0.1342 0.1285
Schistosoma mansoni hypothetical protein 0.0035 0.0101 0.0056
Schistosoma mansoni hypothetical protein 0.0099 0.0874 0.1273
Loa Loa (eye worm) transcription factor SMAD2 0.0792 0.9281 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0122 0.0089
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.1012 0.109
Schistosoma mansoni smad 0.0054 0.0334 0.0422
Echinococcus granulosus smad 0.0054 0.0334 0.0422
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0101 0.0109
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0122 0.0089
Echinococcus granulosus geminin 0.0557 0.6423 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0099 0.0874 0.0814
Plasmodium vivax hypothetical protein, conserved 0.0099 0.0874 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0323 0.3593 0.5548
Echinococcus granulosus expressed protein 0.0391 0.4424 0.6854
Echinococcus granulosus expressed protein 0.0034 0.009 0.0039
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0032 0.007 0.872
Brugia malayi PHD-finger family protein 0.0032 0.007 0.0076
Schistosoma mansoni hypothetical protein 0.0032 0.007 0.0008
Brugia malayi MH2 domain containing protein 0.0054 0.0334 0.036
Echinococcus multilocularis geminin 0.0557 0.6423 0.64
Loa Loa (eye worm) MH2 domain-containing protein 0.0792 0.9281 1
Echinococcus multilocularis expressed protein 0.0391 0.4424 0.4387
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0054 0.0334 0.0422
Echinococcus multilocularis GPCR, family 2 0.0035 0.0101 0.0036
Echinococcus granulosus bifunctional protein NCOAT 0.0327 0.3645 0.563
Schistosoma mansoni hypothetical protein 0.0035 0.0101 0.0056
Entamoeba histolytica hypothetical protein 0.0036 0.0122 0.0645
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0101 0.0056
Loa Loa (eye worm) hypothetical protein 0.0032 0.0065 0.007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0119 0.1126 0.1668
Loa Loa (eye worm) hypothetical protein 0.0035 0.0101 0.0109
Loa Loa (eye worm) hyaluronidase 0.0327 0.3645 0.3927
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.008 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1012 0.109
Loa Loa (eye worm) hypothetical protein 0.0075 0.059 0.0636
Loa Loa (eye worm) MH2 domain-containing protein 0.0054 0.0334 0.036
Brugia malayi MH1 domain containing protein 0.003 0.0041 0.0045
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0033 0.008 1
Schistosoma mansoni Smad4 0.0054 0.0334 0.0422
Brugia malayi jmjC domain containing protein 0.0119 0.1126 0.1213
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0086 0.0721 1
Schistosoma mansoni hypothetical protein 0.0036 0.0122 0.0089
Loa Loa (eye worm) nuclear factor I 0.003 0.0041 0.0045
Echinococcus multilocularis peregrin 0.0099 0.0874 0.0814
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.008 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.007 0.0076
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0032 0.007 0.0008
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.009 0.0097
Brugia malayi Hyaluronidase family protein 0.0327 0.3645 0.3927
Brugia malayi jmjC domain containing protein 0.0032 0.0065 0.007
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0032 0.0065 0.0747
Loa Loa (eye worm) PHD-finger family protein 0.0099 0.0874 0.0942
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0101 0.0036
Echinococcus multilocularis bifunctional protein NCOAT 0.0327 0.3645 0.3603
Loa Loa (eye worm) hypothetical protein 0.0032 0.0065 0.007
Brugia malayi hypothetical protein 0.0036 0.0122 0.0131
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.008 1
Brugia malayi PHD-finger family protein 0.0099 0.0874 0.0942
Echinococcus multilocularis Smad4 0.0054 0.0334 0.027
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.059 0.0636
Schistosoma mansoni rotamase 0.0034 0.009 0.0039
Loa Loa (eye worm) jmjC domain-containing protein 0.0032 0.0065 0.007
Entamoeba histolytica hypothetical protein 0.0036 0.0122 0.0645
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.1012 0.109
Brugia malayi MH1 domain containing protein 0.003 0.0041 0.0045
Loa Loa (eye worm) hypothetical protein 0.0086 0.0721 0.0777
Schistosoma mansoni hypothetical protein 0.0557 0.6423 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0101 0.0056
Echinococcus granulosus GPCR family 2 0.0035 0.0101 0.0056
Brugia malayi jmjC domain containing protein 0.0323 0.3593 0.3871
Schistosoma mansoni hypothetical protein 0.0035 0.0101 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.009 1
Entamoeba histolytica hypothetical protein 0.0036 0.0122 0.0645
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0032 0.007 0.0802
Echinococcus granulosus PHD finger protein rhinoceros 0.0099 0.0874 0.1273
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0054 0.0334 0.027
Echinococcus multilocularis expressed protein 0.0034 0.009 0.0025
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0032 0.0065 0.0747
Brugia malayi Smad1 0.0054 0.0334 0.036
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0032 0.007 0.872
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.007 0.0802
Echinococcus multilocularis mothers against decapentaplegic 5 0.0054 0.0334 0.027
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0099 0.0874 0.1273
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0101 0.0036
Echinococcus multilocularis lysine specific demethylase 5A 0.0119 0.1126 0.1068
Trichomonas vaginalis rotamase, putative 0.0034 0.009 1
Brugia malayi jmjC domain containing protein 0.0032 0.0065 0.007
Schistosoma mansoni Hyaluronidase 0.0327 0.3645 0.563
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.008 0.092
Brugia malayi Bromodomain containing protein 0.0099 0.0874 0.0942
Schistosoma mansoni smad1 5 8 and 0.0054 0.0334 0.0422
Schistosoma mansoni hypothetical protein 0.0075 0.059 0.0826
Loa Loa (eye worm) hypothetical protein 0.003 0.0041 0.0045

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.43 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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