Compound Detail
CHEMBL5517962
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CC(C)(C)c1ccc(-c2cc(NC(=O)c3cccc(Oc4ccccc4)c3)cc(C(=O)O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5517962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBBNRKNWUOLANV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
7.39
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid-binding protein, liver CHEMBL5421 | IC50 | 5.14 | 5.14 | 7280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid-binding protein, liver | IC50 | = | 7280.0 | nM | 5.14 | 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 | Fatty acid-binding protein, liver | 4 |
Data from ChEMBL 36 via Core Engine