Compound Detail
CHEMBL3233837
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Basic Information
| ChEMBL ID | CHEMBL3233837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYZCEZUNDURZDS-SFHVURJKSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.22
ALogP
5
HBA
2
HBD
98.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 7.23 | 7.23 | 59.0 | 2 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 5.69 | 5.69 | 2030.0 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase FAP | IC50 | = | 59.0 | nM | 7.23 | Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using ... | 24617858 |
| Prolyl endopeptidase FAP | IC50 | = | 59.0 | nM | 7.23 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Prolyl endopeptidase | IC50 | = | 2030.0 | nM | 5.69 | Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-... | 24617858 |
| Prolyl endopeptidase | IC50 | = | 2030.0 | nM | 5.69 | Enzymatic Assay: Enzyme activities were determined kinetically in a final volume... | - |
| Unchecked | IC50 | = | 20800.0 | nM | 4.68 | Inhibition of DPP9 purified from bovine testes using Ala-Pro-p-nitroanilide as s... | 24617858 |
| Dipeptidyl peptidase 9 | IC50 | = | 20800.0 | nM | 4.68 | 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