Compound Detail
CHEMBL3287128
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COc1ccc2c(c1OC)OCc1sc(N/N=C(\Cc3ccccc3[N+](=O)[O-])C(=O)O)nc1-2
Basic Information
| ChEMBL ID | CHEMBL3287128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRMGOHKZJYHHKE-YDZHTSKRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
3.72
ALogP
10
HBA
2
HBD
145.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E CHEMBL4848 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E | IC50 | = | 16500.0 | nM | 4.78 | Displacement of N-alpha-fluorescein tagged eIF4G-derived peptide from GST-DN26-e... | 24827861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24827861 | 10.1021/jm401733v | NON-PROTEIN TARGET | 2 |
| 24827861 | 10.1021/jm401733v | Eukaryotic translation initiation factor 4E | 1 |
| 24827861 | 10.1021/jm401733v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine