Compound Detail
CHEMBL186979
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Basic Information
| ChEMBL ID | CHEMBL186979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFQQNRVTXZTKKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.54
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 1.3 | nM | 8.89 | Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate | 15509157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509157 | 10.1021/jm049503w | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine