Compound Detail
CHEMBL1088406
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Basic Information
| ChEMBL ID | CHEMBL1088406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJDNUCLKCQKXMM-HNNXBMFYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.41
ALogP
3
HBA
0
HBD
49.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Prolyl endopeptidase CHEMBL2460 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 350.0 | nM | 6.46 | Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanil... | 23121075 |
| Prolyl endopeptidase | Ki | = | 2100.0 | nM | 5.68 | Inhibition of bovine brain POP | 20058865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 1 |
| 23121075 | 10.1021/jm301060g | Unchecked | 1 |
| 23121075 | 10.1021/jm301060g | Dipeptidyl peptidase 2 | 1 |
| 23121075 | 10.1021/jm301060g | Dipeptidyl peptidase 4 | 1 |
| 23121075 | 10.1021/jm301060g | Prolyl endopeptidase FAP | 1 |
| 23121075 | 10.1021/jm301060g | Prolyl endopeptidase | 1 |
| - | 10.6019/CHEMBL5305021 | Aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine