Compound Detail
CHEMBL5556772
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O=C(O)c1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(-c2cccc(OCC3CC3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL5556772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJHUKENAWLZUOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
6.89
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, liver CHEMBL5421 | IC50 | 5.35 | 5.35 | 4460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, liver | IC50 | = | 4460.0 | nM | 5.35 | Inhibition of recombinant human FABP1 incubated for 3 mins by fluorescence based... | 38574638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38574638 | 10.1016/j.ejmech.2024.116358 | Mus musculus | 29 |
| 38574638 | 10.1016/j.ejmech.2024.116358 | Fatty acid-binding protein, liver | 4 |
| 38574638 | 10.1016/j.ejmech.2024.116358 | Fatty acid-binding protein, heart | 1 |
| 38574638 | 10.1016/j.ejmech.2024.116358 | Fatty acid-binding protein, adipocyte | 1 |
| 39067439 | 10.1016/j.ejmech.2024.116705 | Fatty acid-binding protein, adipocyte | 1 |
Data from ChEMBL 36 via Core Engine