Compound Detail
CHEMBL65561
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Basic Information
| ChEMBL ID | CHEMBL65561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEPYCHWOKPVQIY-APWZRJJASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
2.80
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 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 54.0 | nM | 7.27 | Inhibition of dog brain POP | 20058865 |
| Prolyl endopeptidase | IC50 | = | 91000.0 | nM | 4.04 | 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 |
| 20058865 | 10.1021/jm901104g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine