Compound Detail
CHEMBL1097128
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N#C[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL1097128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLQJROKDILJWGH-SBUREZEXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
2.67
ALogP
5
HBA
4
HBD
144.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL4935 | Ki | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 33.0 | nM | 7.48 | Inhibition of mouse brain POP | 20058865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20058865 | 10.1021/jm901104g | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine