Compound Detail
CHEMBL2385293
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Basic Information
| ChEMBL ID | CHEMBL2385293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTSOTMGJBJQAAZ-ZDUSSCGKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.79
ALogP
4
HBA
1
HBD
86.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | IC50 | 6.19 | 6.19 | 640.0 | 2 |
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 6.17 | 6.17 | 670.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-P... | 24900696 |
| Prolyl endopeptidase | IC50 | = | 640.0 | nM | 6.19 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Prolyl endopeptidase FAP | IC50 | = | 670.0 | nM | 6.17 | Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-ni... | 24900696 |
| Prolyl endopeptidase FAP | IC50 | = | 670.0 | nM | 6.17 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900696 | 10.1021/ml300410d | Prolyl endopeptidase | 1 |
| 24900696 | 10.1021/ml300410d | Dipeptidyl peptidase 2 | 1 |
| 24900696 | 10.1021/ml300410d | Unchecked | 1 |
| 24900696 | 10.1021/ml300410d | Dipeptidyl peptidase 4 | 1 |
| 24900696 | 10.1021/ml300410d | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine