Compound Detail
CHEMBL1096689
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Basic Information
| ChEMBL ID | CHEMBL1096689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOQZMNRVCPCVIX-HOTGVXAUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
1.77
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Prolyl endopeptidase CHEMBL2460 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of POP in human PBMC | 20058865 |
| Prolyl endopeptidase | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of bovine brain POP | 20058865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 2 |
Data from ChEMBL 36 via Core Engine