Compound Detail
CHEMBL1703699
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COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL1703699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSDUJFUPGWJUBW-ZVHZXABRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
3.38
ALogP
7
HBA
2
HBD
132.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 5.56 | 5.56 | 2740.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.3 | 4.3 | 49500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4H | IC50 | = | 2740.0 | nM | 5.56 | PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation ... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 49500.0 | nM | 4.3 | PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation ... | - |
Data from ChEMBL 36 via Core Engine