Compound Detail
CHEMBL3604543
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C[n+]1cn([C@@H]2O[C@H](CO[P@@](=O)(S)OP(=O)([O-])OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21.N.N.N.N
Basic Information
| ChEMBL ID | CHEMBL3604543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXRBWHBZDGOXSG-HXOKTEAESA-N |
| Parent Compound | CHEMBL4298698 |
| Active Moiety | CHEMBL4298698 |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
553.3
MW (Da)
-2.19
ALogP
15
HBA
7
HBD
272.9
PSA (Ų)
0.10
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E CHEMBL5636 | IC50 | 5.89 | 5.865 | 1300.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 190.0 | /uM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of eIF4E-mediated translation in flexi rabbit reticulocyte lysate usi... | 26264844 |
| Eukaryotic translation initiation factor 4E | IC50 | = | 1440.0 | nM | 5.84 | Inhibition of eIF4E-mediated translation in flexi rabbit reticulocyte lysate usi... | 26264844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26264844 | 10.1016/j.bmc.2015.07.052 | Eukaryotic translation initiation factor 4E | 3 |
| 26264844 | 10.1016/j.bmc.2015.07.052 | Serum | 2 |
| 26264844 | 10.1016/j.bmc.2015.07.052 | m7GpppX diphosphatase | 1 |
Data from ChEMBL 36 via Core Engine