Compound Detail
CHEMBL23089
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Basic Information
| ChEMBL ID | CHEMBL23089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJDNUCLKCQKXMM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | IC50 | 7.07 | 6.645 | 86.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 86.0 | nM | 7.07 | In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from ca... | 8027988 |
| Prolyl endopeptidase | IC50 | = | 600.0 | nM | 6.22 | Compound was evaluated for the inhibition of prolyl endopeptidase (PEP) purified... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027988 | 10.1021/jm00039a019 | Prolyl endopeptidase | 1 |
| - | 10.1016/0960-894X(95)00206-9 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine