Compound Detail
CHEMBL4540171
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Basic Information
| ChEMBL ID | CHEMBL4540171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSCJNYRTNNFUNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.09
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4935 | IC50 | 5.29 | 5.29 | 5141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 5141.0 | nM | 5.29 | Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7... | 31857839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31857839 | 10.1021/acsmedchemlett.9b00394 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine