Compound Detail
CHEMBL2046918
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CNc1nc2nc(-c3ccc(C(F)(F)P(=O)(O)O)cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL2046918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIPYKPGMJNDUSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
525.8
MW (Da)
3.79
ALogP
7
HBA
4
HBD
142.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E CHEMBL4848 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E | IC50 | = | 16.0 | nM | 7.8 | Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E exp... | 22458568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22458568 | 10.1021/jm300037x | Eukaryotic translation initiation factor 4E | 1 |
| 22458568 | 10.1021/jm300037x | LLC-PK1 | 1 |
Data from ChEMBL 36 via Core Engine