Compound Detail
CHEMBL191572
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N#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)C2CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL191572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABZCWEMXIOFRPH-HJOGWXRNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
3.17
ALogP
5
HBA
0
HBD
101.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Ki 1 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| Prolyl endopeptidase CHEMBL2461 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 0.36 | nM | 9.44 | Inhibition of pig brain POP | 20058865 |
| Prolyl endopeptidase | IC50 | = | 1.1 | nM | 8.96 | In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM... | 16033257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033257 | 10.1021/jm0500020 | Prolyl endopeptidase | 1 |
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine