Compound Detail
CHEMBL45684
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Basic Information
| ChEMBL ID | CHEMBL45684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYXDETPXAOOVCQ-DHSLYTQISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.7
MW (Da)
6.55
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4035 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 104.0 | nM | 6.98 | Inhibitory activity against rat brain Prolyl endopeptidase (PEP) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00295-3 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine