Compound Detail
CHEMBL4640855
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Nc1nc([O-])c2c(n1)n([C@@H]1O[C@H](COP(=O)(O)S)[C@@H](O)[C@H]1O)c[n+]2Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4640855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHVBFUUBRLMWIC-XNIJJKJLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
-0.91
ALogP
10
HBA
5
HBD
179.9
PSA (Ų)
0.17
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Kd 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E CHEMBL6148 | Kd | 6.46 | 6.46 | 344.0 | 1 |
| Eukaryotic translation initiation factor 4E CHEMBL5636 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E | Kd | = | 344.0 | nM | 6.46 | Binding affinity to murine eIF4E assessed as intrinsic fluorescence quenching of... | 32362385 |
| Eukaryotic translation initiation factor 4E | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of eIF4E in rabbit reticulocyte lysate system assessed as reduction i... | 32362385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32362385 | 10.1016/j.bmc.2020.115523 | Eukaryotic translation initiation factor 4E | 2 |
| 32362385 | 10.1016/j.bmc.2020.115523 | m7GpppX diphosphatase | 1 |
Data from ChEMBL 36 via Core Engine