Compound Detail
CHEMBL309579
2'-BETA-FLUORO-2',3'-DEOXYADENOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL309579 |
| Name | 2'-BETA-FLUORO-2',3'-DEOXYADENOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGYYPTJWJBEXBC-QYYRPYCUSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
-1.00
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.53
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 5.53 | 5.53 | 2940.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | EC50 | = | 1500.0 | nM | 5.82 | compound was tested in vitro for anti HBV activity in HepG2 2.2.15 cells | 9276020 |
| Trichomonas vaginalis | IC50 | = | 2940.0 | nM | 5.53 | Growth inhibition of Trichomonas vaginalis T1 after 24 hrs by hemocytometry | 22579483 |
| Unchecked | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of RSV A2 RNA-dependent RNA polymerase expressed in human Hep2 cells ... | 25978965 |
| Influenza A virus | IC50 | = | 52000.0 | nM | 4.28 | Antiviral activity against Influenza virus (A/Sweden/3/50/ (H1N1)) in dog kidney... | 8421277 |
| CCRF-CEM | IC50 | = | 90000.0 | nM | 4.05 | The cytotoxicity against CEM cells | 9276020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 399 |
| 15084127 | 10.1021/jm030424e | RNA-directed RNA polymerase | 2 |
| 9276020 | 10.1021/jm970233+ | HepG2 | 2 |
| 22579483 | 10.1016/j.bmcl.2012.03.087 | Trichomonas vaginalis | 2 |
| 8421277 | 10.1021/jm00053a015 | Influenza A virus | 1 |
| 8421277 | 10.1021/jm00053a015 | ADMET | 1 |
| 9276020 | 10.1021/jm970233+ | CCRF-CEM | 1 |
| 23639543 | 10.1016/j.bmcl.2013.03.095 | Hepatitis C virus | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | Unchecked | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | NON-PROTEIN TARGET | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | DNA-directed RNA polymerase, mitochondrial | 1 |
| 25978965 | 10.1016/j.bmcl.2015.04.073 | DNA polymerase subunit gamma-1/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine