Compound Detail
CHEMBL189463
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Basic Information
| ChEMBL ID | CHEMBL189463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAYIGWDTSVNRIB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.26
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 9.0 | nM | 8.05 | Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate | 15509157 |
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of POP in pig brain | 16919454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16919454 | 10.1016/j.bmcl.2006.08.029 | No relevant target | 2 |
| 15509157 | 10.1021/jm049503w | Prolyl endopeptidase | 1 |
| 16919454 | 10.1016/j.bmcl.2006.08.029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine