Compound Detail
CHEMBL2046912
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Nc1nc2c(c(=O)[nH]1)[n+](Cc1cc3cc(Cl)ccc3o1)cn2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2046912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCCLFPUBQTZIEH-SCFUHWHPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.8
MW (Da)
-0.86
ALogP
11
HBA
5
HBD
213.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E CHEMBL4848 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| Eukaryotic translation initiation factor 4E CHEMBL5636 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E | IC50 | = | 117.0 | nM | 6.93 | Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E exp... | 22458568 |
| Eukaryotic translation initiation factor 4E | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of eIF4E in rabbit reticulocyte cell lysate assessed as inhibition of... | 22458568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22458568 | 10.1021/jm300037x | Eukaryotic translation initiation factor 4E | 2 |
Data from ChEMBL 36 via Core Engine