Compound Detail
CHEMBL140843
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O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(C(=O)N2CCCC2C(=O)N2CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL140843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEHMDCCJECUSPX-LIMDNCRJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
1.71
ALogP
5
HBA
0
HBD
98.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 1.3 | nM | 8.89 | In vitro inhibitory activity against prolyl oligopeptidase (POP) from pig brain ... | 12238937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12238937 | 10.1021/jm020966g | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine