Compound Detail
CHEMBL1367248
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Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(C(=O)O)c3)C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL1367248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPAUNLLZYZCXCT-HYARGMPZSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
3.80
ALogP
5
HBA
3
HBD
125.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 5.08 | 5.02 | 8360.0 | 2 |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN CHEMBL2146312 | IC50 | 5.01 | 4.905 | 9800.0 | 2 |
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.32 | 4.32 | 47600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4H | IC50 | = | 8360.0 | nM | 5.08 | PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation ... | - |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of recombinant human WRN unwinding activity by immunosorbent-based he... | 38521175 |
| Eukaryotic translation initiation factor 4H | IC50 | = | 11095.0 | nM | 4.96 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of WRN (unknown origin) ATPase activity | 38521175 |
| RecQ-like DNA helicase BLM | IC50 | = | 26300.0 | nM | 4.58 | Inhibition of BLM (unknown origin) ATPase activity | 38521175 |
| Unchecked | IC50 | = | 47600.0 | nM | 4.32 | Inhibition of HSP90 (unknown origin) ATPase activity | 38521175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38521175 | 10.1016/j.bmcl.2024.129711 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 2 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | Unchecked | 2 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | Eukaryotic initiation factor 4A-I | 2 |
| 38521175 | 10.1016/j.bmcl.2024.129711 | RecQ-like DNA helicase BLM | 1 |
Data from ChEMBL 36 via Core Engine