Compound Detail
CHEMBL3233559
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Basic Information
| ChEMBL ID | CHEMBL3233559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEIGQCUUABOKIO-INIZCTEOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.01
ALogP
6
HBA
1
HBD
104.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 6.66 | 6.66 | 220.0 | 2 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 4.93 | 4.93 | 11800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 220.0 | nM | 6.66 | Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using ... | 24617858 |
| Prolyl endopeptidase FAP | IC50 | = | 220.0 | nM | 6.66 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Prolyl endopeptidase | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-... | 24617858 |
| Prolyl endopeptidase | IC50 | = | 11800.0 | nM | 4.93 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24617858 | 10.1021/jm500031w | Unchecked | 2 |
| 24617858 | 10.1021/jm500031w | Prolyl endopeptidase FAP | 1 |
| 24617858 | 10.1021/jm500031w | Prolyl endopeptidase | 1 |
| 24617858 | 10.1021/jm500031w | Dipeptidyl peptidase 4 | 1 |
| 24617858 | 10.1021/jm500031w | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine