Compound Detail
CHEMBL457904
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O=C([C@@H]1CCCN1C(=O)CCCn1c(=O)c(-c2ccccc2)nc2ccccc21)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL457904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEVPYVQXCBNLMU-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.46
ALogP
5
HBA
0
HBD
75.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4035 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 59.0 | nM | 7.23 | Inhibition of POP in Sprague-Dawley rat brain homogenates | 19006380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19006380 | 10.1021/jm800944x | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine