Compound Detail
CHEMBL259868
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Basic Information
| ChEMBL ID | CHEMBL259868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKCFRYNFIUFWOG-LSCFUAHRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
0.02
ALogP
9
HBA
3
HBD
122.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 CHEMBL1997 | IC50 | 5.68 | 5.68 | 2089.3 | 1 |
| Enterovirus A71 CHEMBL612436 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Equilibrative nucleoside transporter 1 | IC50 | = | 2089.3 | nM | 5.68 | Binding affinity to ENT1 transporter | 18289860 |
| Enterovirus A71 | EC50 | = | 5100.0 | nM | 5.29 | Antiviral activity against Enterovirus 71 infected in human RD cells assessed as... | 26854380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18289860 | 10.1016/j.bmc.2008.01.044 | Equilibrative nucleoside transporter 1 | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | Enterovirus A71 | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | RD | 1 |
| 26854380 | 10.1016/j.ejmech.2016.01.036 | Unchecked | 1 |
| 31780305 | 10.1016/j.bmcl.2019.126819 | Stimulator of interferon genes protein | 1 |
Data from ChEMBL 36 via Core Engine