Compound Detail
CHEMBL3236271
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Basic Information
| ChEMBL ID | CHEMBL3236271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPEGDNXHMCYFIU-JSAIGSKTSA-N |
| Parent Compound | CHEMBL3546281 |
| Active Moiety | CHEMBL3546281 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
2.66
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4935 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 3.1 | nM | 8.51 | Competitive inhibition of mouse brain prolyl oligopeptidase | 24763264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24763264 | 10.1016/j.ejmech.2014.04.014 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine