Compound Detail
CHEMBL298028
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Basic Information
| ChEMBL ID | CHEMBL298028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNZKDUXXKIFDBI-HNNXBMFYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.96
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4035 | IC50 | 7.7 | 7.5733 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against rat brain Prolyl endopeptidase (PEP) | - |
| Prolyl endopeptidase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of POP in rat brain homogenate | 20058865 |
| Prolyl endopeptidase | IC50 | = | 48.0 | nM | 7.32 | Inhibition of POP in Sprague-Dawley rat brain homogenates | 19006380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00295-3 | Prolyl endopeptidase | 1 |
| 19006380 | 10.1021/jm800944x | Prolyl endopeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine