Compound Detail
CHEMBL141728
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CSCC[C@H](NC(=O)c1cccc(C(=O)N[C@H](CCSC)C(=O)N2CCCC2)c1)C(=O)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL141728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YICBXTOOMGLABY-SZPZYZBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.8
MW (Da)
2.63
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL2461 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibition of prolyl oligopeptidase (POP) from pig brain | 14521416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521416 | 10.1021/jm030811o | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine