Detailed information for compound 2249827

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.092 | Formula: C10H14F2N2O4
  • H donors: 3 H acceptors: 3 LogP: -0.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 0
  • SMILES: OC[C@@H]1O[C@@H](C([C@H]1O)(F)F)N1CC=CCN=C1O
  • InChi: InChI=1S/C10H14F2N2O4/c11-10(12)7(16)6(5-15)18-8(10)14-4-2-1-3-13-9(14)17/h1-2,6-8,15-16H,3-5H2,(H,13,17)/t6-,7-,8-/m0/s1
  • InChiKey: SNRKAOGJCXPPSV-FXQIFTODSA-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 cytidine deaminase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein Get druggable targets OG5_127381 All targets in OG5_127381
Onchocerca volvulus Get druggable targets OG5_127381 All targets in OG5_127381
Giardia lamblia Cytidine deaminase Get druggable targets OG5_127381 All targets in OG5_127381
Neospora caninum cytidine deaminase, putative Get druggable targets OG5_127381 All targets in OG5_127381
Leishmania major cytidine deaminase-like protein Get druggable targets OG5_127381 All targets in OG5_127381
Leishmania braziliensis cytidine deaminase-like protein Get druggable targets OG5_127381 All targets in OG5_127381
Trypanosoma congolense cytidine deaminase, putative Get druggable targets OG5_127381 All targets in OG5_127381
Trypanosoma cruzi cytidine deaminase-like protein Get druggable targets OG5_127381 All targets in OG5_127381
Mycobacterium ulcerans cytidine deaminase Get druggable targets OG5_127381 All targets in OG5_127381
Echinococcus multilocularis cytidine deaminase Get druggable targets OG5_127381 All targets in OG5_127381
Trypanosoma cruzi cytidine deaminase-like protein, putative Get druggable targets OG5_127381 All targets in OG5_127381
Entamoeba histolytica cytidine deaminase, putative Get druggable targets OG5_127381 All targets in OG5_127381
Leishmania mexicana cytidine deaminase-like protein Get druggable targets OG5_127381 All targets in OG5_127381
Leishmania infantum cytidine deaminase-like protein Get druggable targets OG5_127381 All targets in OG5_127381
Trypanosoma brucei cytidine deaminase Get druggable targets OG5_127381 All targets in OG5_127381
Trichomonas vaginalis cytidine deaminase, putative Get druggable targets OG5_127381 All targets in OG5_127381
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) Get druggable targets OG5_127381 All targets in OG5_127381
Trypanosoma brucei gambiense cytidine deaminase, putative Get druggable targets OG5_127381 All targets in OG5_127381
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) Get druggable targets OG5_127381 All targets in OG5_127381
Brugia malayi cytidine deaminase, identical Get druggable targets OG5_127381 All targets in OG5_127381
Echinococcus granulosus cytidine deaminase Get druggable targets OG5_127381 All targets in OG5_127381
Trichomonas vaginalis cytidine deaminase, putative Get druggable targets OG5_127381 All targets in OG5_127381
Onchocerca volvulus Get druggable targets OG5_127381 All targets in OG5_127381
Leishmania donovani cytidine deaminase-like protein Get druggable targets OG5_127381 All targets in OG5_127381
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
Onchocerca volvulus 0.0065 0.5 0.5
Giardia lamblia Cytidine deaminase 0.0065 0.5 0.5
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0065 0.5 0.5
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0065 0.5 0.5
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0065 0.5 0.5
Onchocerca volvulus 0.0065 0.5 0.5
Echinococcus multilocularis cytidine deaminase 0.0065 0.5 0.5
Trypanosoma cruzi cytidine deaminase-like protein 0.0065 0.5 0.5
Mycobacterium ulcerans cytidine deaminase 0.0065 0.5 0.5
Entamoeba histolytica cytidine deaminase, putative 0.0065 0.5 0.5
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0065 0.5 0.5
Trypanosoma brucei cytidine deaminase 0.0065 0.5 0.5
Trichomonas vaginalis cytidine deaminase, putative 0.0065 0.5 0.5
Leishmania major cytidine deaminase-like protein 0.0065 0.5 0.5
Echinococcus granulosus cytidine deaminase 0.0065 0.5 0.5
Trichomonas vaginalis cytidine deaminase, putative 0.0065 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 237 nM BindingDB_Patents: Enzymatic Assay. The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol. Chem., 1971, 246, 7566-8; and Vincenzetti S. et al., Protein Expr. Purif. 1996, 8, 247-53 was used to determine the inhibitory activity (IC50) of compounds described herein. Using this assay, the IC50 of these compounds was determined by following the decrease of substrate (cytidine) caused by the deamination reaction catalyzed by CDA. Disappearance of substrate (cytidine) over time was monitored by the absorbance at 280 nm of the reaction. The assay reaction was carried out in potassium phosphate buffer (pH 7.4, 20 mM, containing 1 mM DTT) in a total volume of 100 ul in a 96-well plate format. The final reaction mixture contained cytidine (50 uM) and purified human recombinant CDA. Purified enzyme was diluted so as to produce an absorbance change of approximately 2 milli-absorbance units/minute. ChEMBL. No reference
IC50 (binding) = 237 nM BindingDB_Patents: Enzymatic Assay. The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol. Chem., 1971, 246, 7566-8; and Vincenzetti S. et al., Protein Expr. Purif. 1996, 8, 247-53 was used to determine the inhibitory activity (IC50) of compounds described herein. Using this assay, the IC50 of these compounds was determined by following the decrease of substrate (cytidine) caused by the deamination reaction catalyzed by CDA. Disappearance of substrate (cytidine) over time was monitored by the absorbance at 280 nm of the reaction. The assay reaction was carried out in potassium phosphate buffer (pH 7.4, 20 mM, containing 1 mM DTT) in a total volume of 100 ul in a 96-well plate format. The final reaction mixture contained cytidine (50 uM) and purified human recombinant CDA. Purified enzyme was diluted so as to produce an absorbance change of approximately 2 milli-absorbance units/minute. 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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