Compound Detail
CHEMBL80684
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O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL80684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNUXCIMICQKTPX-MYGYKHERSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.71
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4035 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 1.1 | nM | 8.96 | Inhibitory activity was evaluated against Post-proline cleaving enzyme from rat ... | 8691432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691432 | 10.1021/jm950858c | Prolyl endopeptidase | 3 |
Data from ChEMBL 36 via Core Engine