Compound Detail
CHEMBL189765
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O=C([C@@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL189765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMPGEOYGXFCUQS-PMACEKPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
1.77
ALogP
4
HBA
0
HBD
81.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 68.0 | nM | 7.17 | 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 |
Data from ChEMBL 36 via Core Engine