Compound Detail
CHEMBL4446414
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Basic Information
| ChEMBL ID | CHEMBL4446414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNZVLWIOGRZDNB-IRXDYDNUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
1.88
ALogP
5
HBA
1
HBD
95.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 12.0 | nM | 7.92 | 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 |
| 34671446 | 10.1021/acsmedchemlett.1c00399 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine