Compound Detail
CHEMBL76578
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Basic Information
| ChEMBL ID | CHEMBL76578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICULFJDHZQTNRB-HOTGVXAUSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
0.91
ALogP
4
HBA
2
HBD
90.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.0
Ki 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | Ki | 10.22 | 10.22 | 0.1 | 2 |
| Prolyl endopeptidase CHEMBL4035 | IC50 | 10.0 | 9.54 | 0.1 | 2 |
| Prolyl endopeptidase CHEMBL2461 | IC50 | 9.7 | 9.7 | 0.2 | 3 |
| Unchecked CHEMBL612545 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 0.06 | nM | 10.22 | Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate | 15509157 |
| Prolyl endopeptidase | Ki | = | 0.06 | nM | 10.22 | Inhibition of poricne brain POP in expressed in Escherichia coli TOP10 competent... | 26619267 |
| Prolyl endopeptidase | IC50 | = | 0.1 | nM | 10.0 | Inhibitory activity was evaluated against Post-proline cleaving enzyme from rat ... | 8691432 |
| Prolyl endopeptidase | IC50 | = | 0.2 | nM | 9.7 | Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate | 15509157 |
| Prolyl endopeptidase | IC50 | = | 0.2 | nM | 9.7 | In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM... | 16033257 |
| Prolyl endopeptidase | IC50 | = | 0.2 | nM | 9.7 | Inhibition of pig brain POP | 16279765 |
| Prolyl endopeptidase | IC50 | = | 0.83 | nM | 9.08 | Inhibition of POP in rat brain homogenate | 20058865 |
| Unchecked | IC50 | = | 0.83 | nM | 9.08 | Inhibition of POP (unknown origin) | 35797897 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15509157 | 10.1021/jm049503w | Prolyl endopeptidase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8691432 | 10.1021/jm950858c | Prolyl endopeptidase | 1 |
| 15509157 | 10.1021/jm049503w | No relevant target | 1 |
| 16033257 | 10.1021/jm0500020 | Prolyl endopeptidase | 1 |
| 16279765 | 10.1021/jm0509187 | Prolyl endopeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Dipeptidyl peptidase 4 | 1 |
| 20058865 | 10.1021/jm901104g | Unchecked | 1 |
| 20058865 | 10.1021/jm901104g | Xaa-Pro dipeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Lysosomal Pro-X carboxypeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Cytosol aminopeptidase | 1 |
| 26619267 | 10.1021/acs.jmedchem.5b01296 | Prolyl endopeptidase | 1 |
| 35797897 | 10.1016/j.ejmech.2022.114543 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine