Compound Detail
CHEMBL422281
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Basic Information
| ChEMBL ID | CHEMBL422281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPXZUFLGMAOBOM-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.98
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Prolyl endopeptidase | 10091698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091698 | 10.1016/s0960-894x(99)00003-7 | Prolyl endopeptidase | 3 |
Data from ChEMBL 36 via Core Engine