Compound Detail
CHEMBL187502
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O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL187502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVQRQKBQQFXKAW-DQEYMECFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
2.83
ALogP
4
HBA
1
HBD
90.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 31.0 | nM | 7.51 | 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