Detailed information for compound 2008279
Basic information
Technical information
- Name: Unnamed compound
- MW: 264.226 | Formula: C10H14F2N2O4
-
H donors: 3
H acceptors: 3
LogP: -0.44
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: OC[C@H]1O[C@@H](C([C@@H]1O)(F)F)N1CC=CCNC1=O
- 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+/m1/s1
- InChiKey: SNRKAOGJCXPPSV-PRJMDXOYSA-N
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 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| 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 | |
| Mycobacterium leprae | PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) | 0.0065 | 0.5 | 0.5 |
| Giardia lamblia | Cytidine deaminase | 0.0065 | 0.5 | 0.5 |
| Onchocerca volvulus | 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 |
| Trypanosoma brucei | cytidine deaminase | 0.0065 | 0.5 | 0.5 |
| Trichomonas vaginalis | cytidine deaminase, putative | 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 |
| Echinococcus multilocularis | cytidine deaminase | 0.0065 | 0.5 | 0.5 |
| Trypanosoma cruzi | cytidine deaminase-like protein | 0.0065 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 1616 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.
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
No external resources registered 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.