Detailed information for compound 1988172

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 250.224 | Formula: C9H15FN2O5
  • H donors: 4 H acceptors: 4 LogP: -1.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1OC([C@H]([C@@H]1O)F)N1CC[C@H](NC1=O)O
  • InChi: 1S/C9H15FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4-8,13-15H,1-3H2,(H,11,16)/t4-,5-,6+,7-,8?/m1/s1
  • InChiKey: RTGAEUWOUHUIHP-KEWYIRBNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytidine deaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 200 nM BindingDB_Patents: Enzyme Assay. The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol. Chem., 1971, 246, 7566-8; Vincenzetti S. et al., Protein Expr. Purif. 1996, 8, 247-53). The assay follows the change in absorbance at 286 nm of the CDA-catalyzed deamination of cytidine to form uridine. The reaction is carried out in potassium phosphate buffer (pH 7.4, 20 mM, containing 1mM DTT) in a total volume of 200 µl in a 96-well plate format. The final reaction mixture contains cytidine (50 µM) and purified human recombinant CDA. Purified enzyme is diluted so as to produce an absorbance change of approximately 2 milli-absorbance units/minute. Base line measurements of absorbance change over time are made before CDA addition to insure no change of absorbance in the absence of CDA. After CDA addition, absorbance change is monitored for 20-30 minutes. 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.