Compound Detail
CHEMBL63045
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Basic Information
| ChEMBL ID | CHEMBL63045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEPYCHWOKPVQIY-QFBILLFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
2.79
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 5.4 | nM | 8.27 | In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from ca... | 8027988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027988 | 10.1021/jm00039a019 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine