Compound Detail
CHEMBL4549821
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Basic Information
| ChEMBL ID | CHEMBL4549821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVOXDQRATSEGCP-HOCLYGCPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.03
ALogP
3
HBA
1
HBD
73.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4935 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Prolyl endopeptidase CHEMBL2461 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 3.28 | nM | 8.48 | Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7... | 31857839 |
| Unchecked | IC50 | = | 3.3 | nM | 8.48 | Inhibition of recombinant porcine PREP using Suc-Gly-Pro-AMC as substrate preinc... | 37248563 |
| Prolyl endopeptidase | IC50 | = | 4.06 | nM | 8.39 | Inhibition of recombinant porcine brain PREP expressed in Escherichia coli asses... | 31857839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31857839 | 10.1021/acsmedchemlett.9b00394 | Prolyl endopeptidase | 3 |
| 37248563 | 10.1021/acs.jmedchem.3c00235 | Unchecked | 2 |
| 37248563 | 10.1021/acs.jmedchem.3c00235 | Alpha-synuclein | 1 |
| 37248563 | 10.1021/acs.jmedchem.3c00235 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine